Detailed results of UUR17A_R3Cons_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  2064
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   388
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   611
#          BACKBONE-BACKBONE                :       130
#          BACKBONE-SIDE CHAIN              :        92
#          SIDE CHAIN-SIDE CHAIN            :       389
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   440
#          BACKBONE-BACKBONE                :        92
#          BACKBONE-SIDE CHAIN              :        97
#          SIDE CHAIN-SIDE CHAIN            :       251
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   625
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  2064
# INTER-CHAIN RESTRAINTS                    :     0
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 LEU     2      3    1.5    1.5    0.0    0.0    0.0
 SER     3      0    3.0    3.0    0.0    0.0    0.0
 GLN     4      3    6.0    5.5    0.5    0.0    0.0
 ALA     5      1   12.0    7.0    5.0    0.0    0.0
 ASN     6      6    9.0    5.5    3.5    0.0    0.0
 GLU     7      2    8.5    4.0    4.5    0.0    0.0
 ASP     8      1   14.0    4.5    9.5    0.0    0.0
 PHE     9      3   14.0    6.0    8.0    0.0    0.0
 LYS    10      6   15.5    5.0   10.5    0.0    0.0
 LYS    11      5   16.0    4.5   11.5    0.0    0.0
 ILE    12     11   19.0    7.0    7.5    4.5    0.0
 VAL    13      5   37.5    9.5   10.0   18.0    0.0
 ASN    14      5   15.5    6.0    7.0    2.5    0.0
 ASN    15      3   10.0    4.0    6.0    0.0    0.0
 ILE    16      9   29.0    6.5    8.5   14.0    0.0
 ARG    17      7   23.5   10.0    9.5    4.0    0.0
 LEU    18     10   38.0   13.0    3.0   22.0    0.0
 LYS    19      8   14.0    8.0    4.0    2.0    0.0
 ASP    20      2    8.5    3.0    5.5    0.0    0.0
 THR    21      0   10.5    4.0    3.5    3.0    0.0
 PHE    22      4   19.0    4.0    1.5   13.5    0.0
 ASP    23      0   11.0    3.0    0.0    8.0    0.0
 PHE    24      6   25.0    5.0    3.0   17.0    0.0
 LYS    25      4   21.0    8.5    0.0   12.5    0.0
 LEU    26      5   28.5    7.5   14.0    7.0    0.0
 ALA    27      0   12.0    5.0    2.0    5.0    0.0
 ALA    28      0   13.0    6.0    2.5    4.5    0.0
 PHE    29      1   31.0    6.0   18.0    7.0    0.0
 PRO    30      0   12.0    7.5    1.5    3.0    0.0
 ASN    31      4    9.0    7.5    1.5    0.0    0.0
 GLN    32      2   15.5    4.5    7.5    3.5    0.0
 ASN    33      5   10.0    3.5    6.5    0.0    0.0
 TYR    34      4   22.5    4.5    3.0   15.0    0.0
 ASP    35      1    7.0    4.5    2.0    0.5    0.0
 GLN    36      1    8.0    4.5    3.5    0.0    0.0
 LEU    37      6   20.0    5.0    6.5    8.5    0.0
 LEU    38      2    6.5    2.0    4.5    0.0    0.0
 PRO    39      0    7.0    2.0    2.0    3.0    0.0
 SER    40      0    6.5    4.0    2.5    0.0    0.0
 GLN    41      3   15.5    4.0   10.0    1.5    0.0
 ILE    42      6   24.0    6.0    6.5   11.5    0.0
 TYR    43      3   14.0    9.5    4.0    0.5    0.0
 LYS    44      8   10.0    6.5    3.5    0.0    0.0
 ASN    45      0   14.5    3.5    5.0    6.0    0.0
 TYR    46      0    8.5    2.5    5.5    0.5    0.0
 TYR    47      0    1.5    1.5    0.0    0.0    0.0
 GLN    48      3    9.5    3.0    2.0    4.5    0.0
 GLY    49      0    3.5    2.0    0.0    1.5    0.0
 ILE    50      8   24.0    3.5    6.0   14.5    0.0
 GLU    51      2   11.5    6.0    0.0    5.5    0.0
 ILE    52      8   30.5    7.0    4.0   19.5    0.0
 GLN    53      1   14.0    6.0    0.0    8.0    0.0
 GLN    54      3    7.5    3.5    3.0    1.0    0.0
 HIS    55      2   10.0    4.5    2.0    3.5    0.0
 LYS    56      6   15.5    9.0    4.0    2.5    0.0
 TYR    57      3   14.5    8.5    5.0    1.0    0.0
 GLN    58     12   25.5    4.5   13.0    8.0    0.0
 ASN    59      5    4.5    4.0    0.5    0.0    0.0
 GLU    60      3   14.5    9.5    3.0    2.0    0.0
 LEU    61      6   29.5   11.0   10.5    8.0    0.0
 ASP    62      0   14.5    8.0    1.5    5.0    0.0
 ILE    63      4   37.5    8.5    2.5   26.5    0.0
 LYS    64      4   13.5    5.0    0.5    8.0    0.0
 ILE    65      4   21.5    1.5    3.0   17.0    0.0
 ILE    66      3   11.5    2.5    0.0    9.0    0.0
 ASN    67      0    8.0    4.0    1.5    2.5    0.0
 PHE    68      2   25.0    5.5    2.5   17.0    0.0
 LEU    69      2   12.0    8.0    0.5    3.5    0.0
 TYR    70      5   12.5    4.5    3.5    4.5    0.0
 PRO    71      0    0.0    0.0    0.0    0.0    0.0
 ASP    72      0    1.5    1.5    0.0    0.0    0.0
 GLY    73      0    3.5    2.0    1.5    0.0    0.0
 ASP    74      0   12.0    3.0    9.0    0.0    0.0
 PHE    75      4    7.5    6.5    1.0    0.0    0.0
 GLY    76      0    8.5    4.5    4.0    0.0    0.0
 SER    77      3   15.0    4.0   11.0    0.0    0.0
 ALA    78      0   16.0    5.0    7.0    4.0    0.0
 ASN    79      0    7.0    3.5    3.5    0.0    0.0
 LYS    80     10   17.5    6.5    7.0    4.0    0.0
 ASN    81      1   13.0    6.5    5.0    1.5    0.0
 GLY    82      0    6.5    3.0    2.5    1.0    0.0
 THR    83      2   16.0    3.0    4.0    9.0    0.0
 LEU    84      4   27.0    5.5    1.5   20.0    0.0
 LYS    85      6   18.5    7.0    0.0   11.5    0.0
 LEU    86      2   28.5    6.0    4.0   18.5    0.0
 SER    87      0   13.5    5.5    0.0    8.0    0.0
 LEU    88      5   28.0    5.0    3.0   20.0    0.0
 MET    89      0   16.5    4.5    0.0   12.0    0.0
 LEU    90      5   31.0    5.0    0.5   25.5    0.0
 THR    91      2   14.0    3.5    2.5    8.0    0.0
 ASP    92      0   17.5    5.0    6.5    6.0    0.0
 LYS    93      7   10.0    4.5    4.0    1.5    0.0
 LYS    94      3    8.0    4.5    3.5    0.0    0.0
 ASN    95      6   12.5    7.0    5.5    0.0    0.0
 ASN    96      6   10.5    4.5    4.5    1.5    0.0
 GLN    97     11   10.0    4.0    2.5    3.5    0.0
 VAL    98      6   16.0    7.5    2.5    6.0    0.0
 TYR    99      1   17.5    7.5    1.5    8.5    0.0
 TYR   100      4   15.5    5.5    3.0    7.0    0.0
 LYS   101      6   31.0    9.0    2.5   19.5    0.0
 LEU   102      4   17.5   11.0    0.5    6.0    0.0
 LEU   103      6   20.0    7.0    2.0   11.0    0.0
 GLU   104      2    8.5    3.5    0.0    5.0    0.0
 VAL   105      4   20.0    4.5    2.5   13.0    0.0
 SER   106      0   10.0    5.0    1.0    4.0    0.0
 GLY   107      0    4.0    3.0    0.5    0.5    0.0
 PHE   108      3   17.5    3.0    2.5   12.0    0.0
 LYS   109      6    7.5    7.0    0.5    0.0    0.0
 SER   110      0    7.5    7.0    0.0    0.5    0.0
 ASN   111      6   19.0    5.0   10.5    3.5    0.0
 PRO   112      0   11.0    7.0    1.5    2.5    0.0
 TYR   113      9   11.5   10.0    1.5    0.0    0.0
 LEU   114      9   17.5    7.5   10.0    0.0    0.0
 GLU   115      4    4.0    2.5    1.5    0.0    0.0
 HIS   116      0    2.0    2.0    0.0    0.0    0.0
 HIS   117      0    1.0    1.0    0.0    0.0    0.0
 HIS   118      0    0.0    0.0    0.0    0.0    0.0
 HIS   119      0    0.0    0.0    0.0    0.0    0.0
 HIS   120      0    0.0    0.0    0.0    0.0    0.0
 HIS   121      0    0.0    0.0    0.0    0.0    0.0
# TOTAL        388 1676.0  611.0  440.0  625.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 2064.0

List of conformationally-resticting NOE constraints

 assign ((resid  90 and name HD2* ))   ( (resid 101 and name HN   )) assign ((resid  33 and name HA   ))   ( (resid  33 and name HD22 )) assign ((resid  32 and name HA   ))   ( (resid  33 and name HD21 )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HD1  )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HD2  )) assign ((resid  75 and name HD1  ))   ( (resid  76 and name HN   )) assign ((resid  75 and name HD2  ))   ( (resid  76 and name HN   )) assign ((resid 101 and name HB1  ))   ( (resid 102 and name HN   )) assign ((resid  39 and name HG2  ))   ( (resid  40 and name HN   )) assign ((resid  40 and name HB2  ))   ( (resid  41 and name HN   )) assign ((resid  40 and name HB1  ))   ( (resid  41 and name HN   )) assign ((resid  17 and name HN   ))   ( (resid  22 and name HD1  )) assign ((resid  22 and name HB2  ))   ( (resid  23 and name HN   )) assign ((resid  44 and name HN   ))   ( (resid  44 and name HB2  )) assign ((resid   8 and name HB2  ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HB1  ))   ( (resid   9 and name HN   )) assign ((resid  81 and name HB2  ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HB1  ))   ( (resid  82 and name HN   )) assign ((resid 101 and name HN   ))   ( (resid 101 and name HB1  )) assign ((resid 114 and name HB2  ))   ( (resid 115 and name HN   )) assign ((resid  26 and name HA   ))   ( (resid  27 and name HN   )) assign ((resid  26 and name HB2  ))   ( (resid  28 and name HN   )) assign ((resid  28 and name HN   ))   ( (resid  48 and name HB2  )) assign ((resid   6 and name HB2  ))   ( (resid   8 and name HN   )) assign ((resid   6 and name HB1  ))   ( (resid   8 and name HN   )) assign ((resid  19 and name HN   ))   ( (resid 105 and name HG1* )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HD21 )) assign ((resid  17 and name HB2  ))   ( (resid  20 and name HN   )) assign ((resid  61 and name HB1  ))   ( (resid  62 and name HN   )) assign ((resid   6 and name HB2  ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HB1  ))   ( (resid   7 and name HN   )) assign ((resid 103 and name HG   ))   ( (resid 104 and name HN   )) assign ((resid  65 and name HA   ))   ( (resid  89 and name HN   )) assign ((resid  66 and name HG11 ))   ( (resid  89 and name HN   )) assign ((resid  17 and name HB1  ))   ( (resid  21 and name HN   )) assign ((resid  12 and name HB   ))   ( (resid  13 and name HN   )) assign ((resid  92 and name HB1  ))   ( (resid  97 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  61 and name HD2* )) assign ((resid  97 and name HB1  ))   ( (resid  98 and name HN   )) assign ((resid  88 and name HN   ))   ( (resid 102 and name HA   )) assign ((resid  90 and name HB2  ))   ( (resid  99 and name HN   )) assign ((resid  90 and name HD2* ))   ( (resid  99 and name HN   )) assign ((resid  54 and name HB1  ))   ( (resid  55 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  58 and name HG1  )) assign ((resid 105 and name HG2* ))   ( (resid 106 and name HN   )) assign ((resid 109 and name HD1  ))   ( (resid 110 and name HN   )) assign ((resid  38 and name HN   ))   ( (resid  41 and name HN   )) assign ((resid  41 and name HN   ))   ( (resid  43 and name HN   )) assign ((resid  38 and name HB2  ))   ( (resid  41 and name HN   )) assign ((resid  38 and name HB1  ))   ( (resid  41 and name HN   )) assign ((resid  33 and name HN   ))   ( (resid  36 and name HN   )) assign ((resid  33 and name HN   ))   ( (resid  37 and name HN   )) assign ((resid  65 and name HA   ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HB   ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HG11 ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HG2* ))   ( (resid  67 and name HN   )) assign ((resid  65 and name HG2* ))   ( (resid  67 and name HN   )) assign ((resid  80 and name HB1  ))   ( (resid  81 and name HN   )) assign ((resid  96 and name HN   ))   ( (resid  96 and name HD21 )) assign ((resid 111 and name HN   ))   ( (resid 112 and name HD1  )) assign ((resid  84 and name HN   ))   ( (resid  84 and name HD1* )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HG11 )) assign ((resid  63 and name HN   ))   ( (resid  90 and name HD1* )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG   )) assign ((resid  37 and name HG   ))   ( (resid  38 and name HN   )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HN   )) assign ((resid  65 and name HN   ))   ( (resid  65 and name HB   )) assign ((resid  69 and name HN   ))   ( (resid  86 and name HA   )) assign ((resid   9 and name HD2  ))   ( (resid  10 and name HN   )) assign ((resid  10 and name HB1  ))   ( (resid  11 and name HN   )) assign ((resid  22 and name HB1  ))   ( (resid  56 and name HN   )) assign ((resid  56 and name HN   ))   ( (resid  58 and name HG2  )) assign ((resid  56 and name HN   ))   ( (resid  63 and name HD1* )) assign ((resid  69 and name HN   ))   ( (resid  85 and name HN   )) assign ((resid  61 and name HA   ))   ( (resid  93 and name HN   )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG   )) assign ((resid  21 and name HN   ))   ( (resid  22 and name HN   )) assign ((resid  26 and name HG   ))   ( (resid  29 and name HN   )) assign ((resid  67 and name HB2  ))   ( (resid  68 and name HN   )) assign ((resid  67 and name HB1  ))   ( (resid  68 and name HN   )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HE1  )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HD1  )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HD2  )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HG11 ))   ( (resid  43 and name HN   )) assign ((resid  56 and name HG1  ))   ( (resid  57 and name HN   )) assign ((resid  70 and name HN   ))   ( (resid  70 and name HD1  )) assign ((resid  99 and name HD2  ))   ( (resid 100 and name HN   )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HE1  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HE2  )) assign ((resid  90 and name HD2* ))   ( (resid 100 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 113 and name HD1  )) assign ((resid 113 and name HN   ))   ( (resid 113 and name HD2  )) assign ((resid 111 and name HA   ))   ( (resid 113 and name HN   )) assign ((resid  97 and name HB1  ))   ( (resid  97 and name HE21 )) assign ((resid  58 and name HE22 ))   ( (resid  61 and name HB2  )) assign ((resid  58 and name HE21 ))   ( (resid  63 and name HG11 )) assign ((resid  58 and name HE22 ))   ( (resid  63 and name HG11 )) assign ((resid  13 and name HB   ))   ( (resid  14 and name HD22 )) assign ((resid  13 and name HB   ))   ( (resid  14 and name HD21 )) assign ((resid  22 and name HN   ))   ( (resid  22 and name HD1  )) assign ((resid  95 and name HB2  ))   ( (resid  95 and name HD22 )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB2  )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB1  )) assign ((resid  17 and name HG1  ))   ( (resid  18 and name HN   )) assign ((resid   7 and name HG2  ))   ( (resid   8 and name HN   )) assign ((resid  17 and name HB2  ))   ( (resid  19 and name HN   )) assign ((resid  20 and name HN   ))   ( (resid  20 and name HB2  )) assign ((resid  20 and name HN   ))   ( (resid  20 and name HB1  )) assign ((resid  32 and name HA   ))   ( (resid  33 and name HN   )) assign ((resid  33 and name HB1  ))   ( (resid  34 and name HN   )) assign ((resid  33 and name HB1  ))   ( (resid  35 and name HN   )) assign ((resid  41 and name HA   ))   ( (resid  44 and name HN   )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HB2  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HB1  )) assign ((resid  80 and name HN   ))   ( (resid  80 and name HB1  )) assign ((resid  90 and name HN   ))   ( (resid  90 and name HB2  )) assign ((resid  95 and name HB2  ))   ( (resid  96 and name HN   )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HB2  )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HB2  )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HG   )) assign ((resid  25 and name HB1  ))   ( (resid  51 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  63 and name HD1* )) assign ((resid  95 and name HN   ))   ( (resid  96 and name HD21 )) assign ((resid  83 and name HA   ))   ( (resid 105 and name HN   )) assign ((resid  17 and name HB1  ))   ( (resid  19 and name HN   )) assign ((resid  17 and name HG1  ))   ( (resid  19 and name HN   )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HG11 )) assign ((resid  92 and name HN   ))   ( (resid  99 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HG11 )) assign ((resid  70 and name HD2  ))   ( (resid  74 and name HN   )) assign ((resid  57 and name HD2  ))   ( (resid  58 and name HN   )) assign ((resid  17 and name HB1  ))   ( (resid  20 and name HN   )) assign ((resid  67 and name HN   ))   ( (resid  87 and name HN   )) assign ((resid  90 and name HN   ))   ( (resid  99 and name HN   )) assign ((resid 111 and name HD22 ))   ( (resid 114 and name HD1* )) assign ((resid 111 and name HD22 ))   ( (resid 114 and name HD2* )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HD2  )) assign ((resid  81 and name HN   ))   ( (resid 112 and name HA   )) assign ((resid   4 and name HB2  ))   ( (resid   5 and name HN   )) assign ((resid   5 and name HN   ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HA   ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HN   ))   ( (resid   5 and name HB*  )) assign ((resid   5 and name HB*  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HN   ))   ( (resid   8 and name HN   )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HD22 )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HD21 )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HB2  )) assign ((resid   6 and name HN   ))   ( (resid   7 and name HN   )) assign ((resid   7 and name HN   ))   ( (resid   7 and name HB1  )) assign ((resid   7 and name HN   ))   ( (resid   7 and name HG2  )) assign ((resid   8 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   8 and name HA   ))   ( (resid  11 and name HN   )) assign ((resid   8 and name HN   ))   ( (resid   9 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid   9 and name HA   ))   ( (resid  12 and name HN   )) assign ((resid   9 and name HB1  ))   ( (resid  10 and name HN   )) assign ((resid   8 and name HN   ))   ( (resid   9 and name HD2  )) assign ((resid   9 and name HN   ))   ( (resid   9 and name HD2  )) assign ((resid   8 and name HN   ))   ( (resid  10 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid  10 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HN   )) assign ((resid  10 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  10 and name HB1  )) assign ((resid   8 and name HN   ))   ( (resid  10 and name HG2  )) assign ((resid  10 and name HN   ))   ( (resid  10 and name HG2  )) assign ((resid  10 and name HG2  ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  10 and name HG1  )) assign ((resid  10 and name HG1  ))   ( (resid  11 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid  11 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HD21 )) assign ((resid  11 and name HA   ))   ( (resid  15 and name HD21 )) assign ((resid  11 and name HB1  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HG2  ))   ( (resid  15 and name HD21 )) assign ((resid  10 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG11 )) assign ((resid   9 and name HN   ))   ( (resid  12 and name HD1* )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG2* )) assign ((resid  12 and name HG2* ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HG2* ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB   )) assign ((resid  13 and name HB   ))   ( (resid  14 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  13 and name HG2* )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HG2* )) assign ((resid  13 and name HG2* ))   ( (resid  16 and name HN   )) assign ((resid  13 and name HG2* ))   ( (resid  58 and name HE21 )) assign 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and name HN   ))   ( (resid  52 and name HD1* )) assign ((resid  52 and name HN   ))   ( (resid  52 and name HD1* )) assign ((resid  24 and name HD1  ))   ( (resid  52 and name HD1* )) assign ((resid  24 and name HD2  ))   ( (resid  52 and name HD1* )) assign ((resid  52 and name HD1* ))   ( (resid  63 and name HG2* )) assign ((resid  62 and name HA   ))   ( (resid  63 and name HB   )) assign ((resid  22 and name HD1  ))   ( (resid  63 and name HD1* )) assign ((resid  24 and name HB2  ))   ( (resid  65 and name HD1* )) assign ((resid  24 and name HB1  ))   ( (resid  65 and name HD1* )) assign ((resid  16 and name HG2* ))   ( (resid  63 and name HD1* )) assign ((resid  65 and name HG2* ))   ( (resid  65 and name HD1* )) assign ((resid  52 and name HG2* ))   ( (resid  63 and name HG2* )) assign ((resid  62 and name HA   ))   ( (resid  63 and name HG2* )) assign ((resid  18 and name HB2  ))   ( (resid  24 and name HD1  )) assign ((resid   2 and name HB2  ))   ( (resid   3 and name HN   )) assign ((resid   2 and name HB1  ))   ( (resid   3 and name HN   )) assign ((resid  18 and name HD2* ))   ( (resid 105 and name HG2* )) assign ((resid  18 and name HD2* ))   ( (resid 105 and name HG1* )) assign ((resid  18 and name HB2  ))   ( (resid  18 and name HD2* )) assign ((resid  18 and name HB2  ))   ( (resid  18 and name HD1* )) assign ((resid  26 and name HG   ))   ( (resid  37 and name HG   )) assign ((resid  24 and name HB2  ))   ( (resid  26 and name HD1* )) assign ((resid  24 and name HB2  ))   ( (resid  26 and name HD2* )) assign ((resid  24 and name HD2  ))   ( (resid  26 and name HD1* )) assign ((resid  24 and name HD2  ))   ( (resid  26 and name HD2* )) assign ((resid  29 and name HD2  ))   ( (resid  37 and name HD1* )) assign ((resid  29 and name HD2  ))   ( (resid  37 and name HD2* )) assign ((resid  12 and name HG2* ))   ( (resid  61 and name HG   )) assign ((resid 113 and name HE2  ))   ( (resid 114 and name HD1* )) assign ((resid  10 and name HA   ))   ( (resid  10 and name HG1  )) assign ((resid   8 and name HA   ))   ( (resid  10 and name HG2  )) assign ((resid  11 and name HA   ))   ( (resid  11 and name HD2  )) assign ((resid  11 and name HA   ))   ( (resid  11 and name HD1  )) assign ((resid  80 and name HN   ))   ( (resid  80 and name HG2  )) assign ((resid  10 and name HG1  ))   ( (resid  14 and name HB2  )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HG2  )) assign ((resid  44 and name HA   ))   ( (resid  44 and name HD2  )) assign ((resid  44 and name HA   ))   ( (resid  44 and name HD1  )) assign ((resid  43 and name HD2  ))   ( (resid  44 and name HD2  )) assign ((resid  43 and name HD2  ))   ( (resid  44 and name HD1  )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HD2  )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HD1  )) assign ((resid  80 and name HG2  ))   ( (resid  81 and name HN   )) assign ((resid  80 and name HG2  ))   ( (resid  82 and name HN   )) assign ((resid  25 and name HG2  ))   ( (resid  51 and name HN   )) assign ((resid  64 and name HA   ))   ( (resid  64 and name HD2  )) assign ((resid  64 and name HA   ))   ( (resid  64 and name HD1  )) assign ((resid  77 and name HA   ))   ( (resid  80 and name HB1  )) assign ((resid  94 and name HG2  ))   ( (resid  95 and name HN   )) assign ((resid  93 and name HN   ))   ( (resid  93 and name HD2  )) assign ((resid  93 and name HN   ))   ( (resid  93 and name HD1  )) assign ((resid  16 and name HD1* ))   ( (resid 101 and name HG2  )) assign ((resid  16 and name HG2* ))   ( (resid 103 and name HB2  )) assign ((resid 102 and name HN   ))   ( (resid 103 and name HG   )) assign ((resid 102 and name HA   ))   ( (resid 103 and name HG   )) assign ((resid 101 and name HG2  ))   ( (resid 103 and name HG   )) assign ((resid 102 and name HB2  ))   ( (resid 103 and name HN   )) assign ((resid  87 and name HA   ))   ( (resid 102 and name HB1  )) assign ((resid 102 and name HB1  ))   ( (resid 103 and name HA   )) assign ((resid  86 and name HB2  ))   ( (resid  88 and name HD2* )) assign ((resid   9 and name HA   ))   ( (resid   9 and name HD1  )) assign ((resid  24 and name HA   ))   ( (resid  25 and name HB1  )) assign ((resid  85 and name HB1  ))   ( (resid 102 and name HA   )) assign ((resid  90 and name HB2  ))   ( (resid  90 and name HD2* )) assign ((resid  63 and name HD1* ))   ( (resid  90 and name HD1* )) assign ((resid  16 and name HG2* ))   ( (resid  63 and name HG12 )) assign ((resid  66 and name HG2* ))   ( (resid  66 and name HG11 )) assign ((resid  66 and name HD1* ))   ( (resid 100 and name HE2  )) assign ((resid  66 and name HD1* ))   ( (resid 100 and name HD2  )) assign ((resid  24 and name HD2  ))   ( (resid  65 and name HD1* )) assign ((resid  52 and name HD1* ))   ( (resid  65 and name HG2* )) assign ((resid  65 and name HG2* ))   ( (resid  86 and name HG   )) assign ((resid  54 and name HB2  ))   ( (resid  55 and name HN   )) assign ((resid  52 and name HG11 ))   ( (resid  64 and name HA   )) assign ((resid 113 and name HN   ))   ( (resid 113 and name HB1  )) assign ((resid  25 and name HA   ))   ( (resid  50 and name HG2* )) assign ((resid  52 and name HG2* ))   ( (resid  64 and name HN   )) assign ((resid   8 and name HA   ))   ( (resid  12 and name HD1* )) assign ((resid  91 and name HA   ))   ( (resid  98 and name HG1* )) assign ((resid  83 and name HG2* ))   ( (resid 105 and name HA   )) assign ((resid  13 and name HG2* ))   ( (resid 101 and name HD2  )) assign ((resid  13 and name HG2* ))   ( (resid 101 and name HD1  )) assign ((resid  16 and name HD1* ))   ( (resid  63 and name HG12 )) assign ((resid  61 and name HB2  ))   ( (resid  63 and name HG11 )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HG12 )) assign ((resid  63 and name HG2* ))   ( (resid  65 and name HN   )) assign ((resid  17 and name HG2  ))   ( (resid  20 and name HB2  )) assign ((resid  17 and name HG2  ))   ( (resid  20 and name HB1  )) assign ((resid  86 and name HG   ))   ( (resid 103 and name HB2  )) assign ((resid  68 and name HD2  ))   ( (resid  86 and name HG   )) assign ((resid  68 and name HE2  ))   ( (resid  86 and name HG   )) assign ((resid  66 and name HD1* ))   ( (resid  87 and name HB1  )) assign ((resid  39 and name HA   ))   ( (resid  42 and name HB   )) assign ((resid  39 and name HA   ))   ( (resid  84 and name HD1* )) assign ((resid  74 and name HN   ))   ( (resid  77 and name HB2  )) assign ((resid  74 and name HN   ))   ( (resid  77 and name HB1  )) assign ((resid  92 and name HA   ))   ( (resid  96 and name HN   )) assign ((resid 112 and name HB1  ))   ( (resid 113 and name HD1  )) assign ((resid  28 and name HB*  ))   ( (resid  45 and name HB2  )) assign ((resid  42 and name HG2* ))   ( (resid  45 and name HB2  )) assign ((resid  50 and name HB   ))   ( (resid  51 and name HN   )) assign ((resid   2 and name HA   ))   ( (resid   2 and name HD1* )) assign ((resid   2 and name HA   ))   ( (resid   2 and name HD2* )) assign ((resid   4 and name HA   ))   ( (resid   5 and name HN   )) assign ((resid  33 and name HB1  ))   ( (resid  35 and name HA   )) assign ((resid   4 and name HA   ))   ( (resid   5 and name HB*  )) assign ((resid   5 and name HB*  ))   ( (resid   8 and name HA   )) assign ((resid   5 and name HB*  ))   ( (resid   6 and name HB2  )) assign ((resid   5 and name HB*  ))   ( (resid   8 and name HN   )) assign ((resid   5 and name HB*  ))   ( (resid   6 and name HD21 )) assign ((resid   6 and name HA   ))   ( (resid   6 and name HD21 )) assign ((resid   5 and name HB*  ))   ( (resid   7 and name HA   )) assign ((resid   9 and name HA   ))   ( (resid  12 and name HB   )) assign ((resid   9 and name HA   ))   ( (resid  12 and name HD1* )) assign ((resid   9 and name HB2  ))   ( (resid  10 and name HN   )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HG2* )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HG1* )) assign ((resid  10 and name HB2  ))   ( (resid  13 and name HG2* )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HG2  )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HG1  )) assign ((resid  11 and name HB1  ))   ( (resid  12 and name HD1* )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HD1* )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG12 )) assign ((resid  12 and name HN   ))   ( (resid  13 and name HG2* )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HB2  )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HB1  )) assign ((resid  12 and name HG2* ))   ( (resid  12 and name HG11 )) assign ((resid  12 and name HA   ))   ( (resid  12 and name HD1* )) assign ((resid  12 and name HD1* ))   ( (resid  60 and name HB2  )) assign ((resid  12 and name HD1* ))   ( (resid  60 and name HB1  )) assign ((resid  12 and name HD1* ))   ( (resid  61 and name HB1  )) assign ((resid  61 and name HB1  ))   ( (resid  63 and name HD1* )) assign ((resid  12 and name HG2* ))   ( (resid  12 and name HD1* )) assign ((resid  11 and name HA   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HD1* ))   ( (resid  13 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  13 and name HG2* )) assign ((resid  13 and name HA   ))   ( (resid  13 and name HG1* )) assign ((resid  13 and name HA   ))   ( (resid  14 and name HA   )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HB   )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HD1* )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HG11 )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HG12 )) assign ((resid  13 and name HG2* ))   ( (resid  16 and name HD1* )) assign ((resid  13 and name HG1* ))   ( (resid  14 and name HA   )) assign ((resid  13 and name HG1* ))   ( (resid 101 and name HG1  )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HG2* ))   ( (resid  14 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HB2  )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HB1  )) assign ((resid  14 and name HA   ))   ( (resid  14 and name HD22 )) assign ((resid  13 and name HG2* ))   ( (resid  14 and name HD21 )) assign ((resid  13 and name HG1* ))   ( (resid  14 and name HD21 )) assign ((resid  11 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB2  )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB1  )) assign ((resid  30 and name HG2  ))   ( (resid  31 and name HD21 )) assign ((resid  16 and name HG2* ))   ( (resid  22 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HN   )) assign ((resid  13 and name HG1* ))   ( (resid  16 and name HN   )) assign ((resid  13 and name HG1* ))   ( (resid  99 and name HD1  )) assign ((resid  15 and name HB2  ))   ( (resid  16 and name HN   )) assign ((resid  65 and name HD1* ))   ( (resid  86 and name HB1  )) assign ((resid  16 and name HG2* ))   ( (resid  16 and name HG11 )) assign ((resid  16 and name HG11 ))   ( (resid 103 and name HD2* )) assign ((resid  16 and name HG2* ))   ( (resid  16 and name HG12 )) assign ((resid  66 and name HG2* ))   ( (resid  66 and name HG12 )) assign ((resid  16 and name HA   ))   ( (resid  16 and name HD1* )) assign ((resid  16 and name HG2* ))   ( (resid  16 and name HD1* )) assign ((resid  16 and name HD1* ))   ( (resid  63 and name HD1* )) assign ((resid  16 and name HD1* ))   ( (resid  63 and name HG2* )) assign ((resid  16 and name HD1* ))   ( (resid  88 and name HB1  )) assign ((resid  16 and name HD1* ))   ( (resid  88 and name HB2  )) assign ((resid  16 and name HD1* ))   ( (resid 103 and name HD2* )) assign ((resid  16 and name HD1* ))   ( (resid 103 and name HG   )) assign ((resid  16 and name HG2* ))   ( (resid  17 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  17 and name HD1  )) assign ((resid 103 and name HA   ))   ( (resid 103 and name HD2* )) assign ((resid  17 and name HB2  ))   ( (resid  17 and name HD2  )) assign ((resid  17 and name HA   ))   ( (resid  17 and name HD2  )) assign ((resid  17 and name HB1  ))   ( (resid  17 and name HD2  )) assign ((resid  17 and name HD2  ))   ( (resid 103 and name HD2* )) assign ((resid  17 and name HD1  ))   ( (resid 103 and name HD2* )) assign ((resid  17 and name HB2  ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HB1  ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HD1  ))   ( (resid  18 and name HN   )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HD2* )) assign ((resid  18 and name HN   ))   ( (resid 105 and name HG2* )) assign ((resid  17 and name HD1  ))   ( (resid  18 and name HD1* )) assign ((resid  18 and name HA   ))   ( (resid  18 and name HD1* )) assign ((resid  18 and name HD1* ))   ( (resid  19 and name HB2  )) assign ((resid  18 and name HD1* ))   ( (resid  19 and name HB1  )) assign ((resid  86 and name HB2  ))   ( (resid  88 and name HD1* )) assign ((resid  18 and name HD1* ))   ( (resid 105 and name HG1* )) assign ((resid  17 and name HD1  ))   ( (resid  18 and name HD2* )) assign ((resid  18 and name HA   ))   ( (resid  18 and name HD2* )) assign ((resid  17 and name HD1  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HG   ))   ( (resid  19 and name HN   )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HG1  )) assign ((resid  16 and name HB   ))   ( (resid  21 and name HB   )) assign ((resid  15 and name HN   ))   ( (resid  16 and name HB   )) assign ((resid  22 and name HB2  ))   ( (resid  52 and name HG2* )) assign ((resid  16 and name HG2* ))   ( (resid  22 and name HD1  )) assign ((resid  22 and name HD2  ))   ( (resid  52 and name HD1* )) assign ((resid  22 and name HD2  ))   ( (resid  52 and name HG2* )) assign ((resid  23 and name HN   ))   ( (resid  53 and name HB1  )) assign ((resid  25 and name HN   ))   ( (resid  65 and name HD1* )) assign ((resid  23 and name HB1  ))   ( (resid  53 and name HB2  )) assign ((resid  23 and name HB1  ))   ( (resid  53 and name HB1  )) assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HA   ))   ( (resid  25 and name HB2  )) assign ((resid  24 and name HA   ))   ( (resid  50 and name HG2* )) assign ((resid  24 and name HA   ))   ( (resid  52 and name HD1* )) assign ((resid  24 and name HA   ))   ( (resid  52 and name HG2* )) assign ((resid  24 and name HB2  ))   ( (resid  50 and name HD1* )) assign ((resid  24 and name HB2  ))   ( (resid  50 and name HG2* )) assign ((resid  24 and name HB2  ))   ( (resid  52 and name HD1* )) assign ((resid  24 and name HB1  ))   ( (resid  52 and name HD1* )) assign ((resid  24 and name HD2  ))   ( (resid  50 and name HD1* )) assign ((resid  24 and name HD2  ))   ( (resid  50 and name HG2* )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HG2  )) assign ((resid  25 and name HN   ))   ( (resid  50 and name HD1* )) assign ((resid  25 and name HN   ))   ( (resid  50 and name HG2* )) assign ((resid  25 and name HA   ))   ( (resid  25 and name HG2  )) assign ((resid  25 and name HA   ))   ( (resid  26 and name HB2  )) assign ((resid  25 and name HG2  ))   ( (resid  30 and name HA   )) assign ((resid  25 and name HB2  ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HG1  ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HG2  ))   ( (resid  26 and name HN   )) assign ((resid  26 and name HN   ))   ( (resid  26 and name HD2* )) assign ((resid  26 and name HN   ))   ( (resid  30 and name HA   )) assign ((resid  26 and name HA   ))   ( (resid  26 and name HD1* )) assign ((resid  26 and name HB2  ))   ( (resid  26 and name HD2* )) assign ((resid  26 and name HB1  ))   ( (resid  26 and name HD1* )) assign ((resid  26 and name HG   ))   ( (resid  42 and name HG2* )) assign ((resid  26 and name HB2  ))   ( (resid  27 and name HN   )) assign ((resid  26 and name HD1* )) 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)) assign ((resid  60 and name HG2  ))   ( (resid  61 and name HD2* )) assign ((resid  60 and name HG1  ))   ( (resid  61 and name HD2* )) assign ((resid  41 and name HN   ))   ( (resid  41 and name HG2  )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HG2* )) assign ((resid  26 and name HD1* ))   ( (resid  42 and name HA   )) assign ((resid  26 and name HG   ))   ( (resid  42 and name HA   )) assign ((resid  42 and name HA   ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HD1* ))   ( (resid  84 and name HB2  )) assign ((resid  42 and name HD1* ))   ( (resid  84 and name HB1  )) assign ((resid  42 and name HG2* ))   ( (resid  42 and name HG12 )) assign ((resid  26 and name HD1* ))   ( (resid  42 and name HD1* )) assign ((resid  26 and name HD2* ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HG2* ))   ( (resid  42 and name HD1* )) assign ((resid  26 and name HD1* ))   ( (resid  42 and name HG2* )) assign ((resid  13 and name HG1* ))   ( (resid 101 and name HD2  )) assign ((resid  13 and name HG1* ))   ( (resid 101 and name HD1  )) assign ((resid  42 and name HG2* ))   ( (resid  43 and name HA   )) assign ((resid  42 and name HG2* ))   ( (resid  43 and name HN   )) assign ((resid  24 and name HE2  ))   ( (resid  50 and name HD1* )) assign ((resid  46 and name HN   ))   ( (resid  50 and name HD1* )) assign ((resid  27 and name HB*  ))   ( (resid  48 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HG2  )) assign ((resid  27 and name HB*  ))   ( (resid  48 and name HB2  )) assign ((resid  27 and name HB*  ))   ( (resid  48 and name HB1  )) assign ((resid  27 and name HB*  ))   ( (resid  49 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HD1* )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HG2* )) assign ((resid  50 and name HA   ))   ( (resid  50 and name HD1* )) assign ((resid  50 and name HG2* ))   ( (resid  50 and name HD1* )) assign ((resid  50 and name HG2* ))   ( (resid  52 and name HB   )) assign ((resid  50 and name HG2* ))   ( (resid  52 and name HD1* )) assign ((resid  50 and name HG2* ))   ( (resid  65 and name HG2* )) assign ((resid  50 and name HD1* ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HG2* ))   ( (resid  51 and name HN   )) assign ((resid  25 and name HG1  ))   ( (resid  26 and name HB2  )) assign ((resid  51 and name HB2  ))   ( (resid  52 and name HN   )) assign ((resid  50 and name HG2* ))   ( (resid  52 and name HG11 )) assign ((resid  52 and name HG2* ))   ( (resid  52 and name HG11 )) assign ((resid  50 and name HG2* ))   ( (resid  52 and name HG12 )) assign ((resid  52 and name HG2* ))   ( (resid  52 and name HG12 )) assign ((resid  52 and name HG12 ))   ( (resid  64 and name HA   )) assign ((resid  52 and name HA   ))   ( (resid  52 and name HD1* )) assign ((resid  16 and name HG2* ))   ( (resid  63 and name HB   )) assign ((resid  52 and name HD1* ))   ( (resid  63 and name HB   )) assign ((resid  63 and name HB   ))   ( (resid  90 and name HD1* )) assign ((resid  52 and name HD1* ))   ( (resid  64 and name HA   )) assign ((resid  52 and name HG2* ))   ( (resid  52 and name HD1* )) assign ((resid  16 and name HG12 ))   ( (resid  63 and name HD1* )) assign ((resid  52 and name HD1* ))   ( (resid  53 and name HN   )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HG   )) assign ((resid  52 and name HG12 ))   ( (resid  53 and name HN   )) assign ((resid  52 and name HG2* ))   ( (resid  53 and name HA   )) assign ((resid  23 and name HB2  ))   ( (resid  53 and name HB2  )) assign ((resid  23 and name HB2  ))   ( (resid  53 and name HB1  )) assign ((resid  52 and name HG2* ))   ( (resid  54 and name HN   )) assign ((resid  55 and name HA   ))   ( (resid  55 and name HD2  )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HG2  )) assign ((resid  56 and name HN   ))   ( (resid  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HE22 ))   ( (resid  61 and name HG   )) assign ((resid  58 and name HE22 ))   ( (resid  63 and name HD1* )) assign ((resid  57 and name HB1  ))   ( (resid  60 and name HB1  )) assign ((resid  57 and name HB2  ))   ( (resid  60 and name HB1  )) assign ((resid  60 and name HB1  ))   ( (resid  61 and name HN   )) assign ((resid  61 and name HA   ))   ( (resid  62 and name HB1  )) assign ((resid  52 and name HB   ))   ( (resid  63 and name HG2* )) assign ((resid  61 and name HA   ))   ( (resid  61 and name HD1* )) assign ((resid  61 and name HA   ))   ( (resid  61 and name HD2* )) assign ((resid  62 and name HB1  ))   ( (resid  91 and name HG2* )) assign ((resid  61 and name HG   ))   ( (resid  62 and name HN   )) assign ((resid  53 and name HN   ))   ( (resid  63 and name HG2* )) assign ((resid  62 and name HA   ))   ( (resid  63 and name HD1* )) assign ((resid  61 and name HA   ))   ( (resid  62 and name HB2  )) assign ((resid 114 and name HA   ))   ( (resid 114 and name HD1* )) assign ((resid  21 and name HB   ))   ( (resid  63 and name HD1* )) assign ((resid  63 and name HA   ))   ( (resid  63 and name HD1* )) assign ((resid  52 and name HG2* ))   ( (resid  63 and name HB   )) assign ((resid  61 and name HB1  ))   ( (resid  61 and name HD2* )) assign ((resid  61 and name HD1* ))   ( (resid  63 and name HG11 )) assign ((resid  52 and name HD1* ))   ( (resid  65 and name HB   )) assign ((resid  52 and name HD1* ))   ( (resid  65 and name HD1* )) assign ((resid  52 and name HG2* ))   ( (resid  63 and name HD1* )) assign ((resid  52 and name HG2* ))   ( (resid  65 and name HD1* )) assign ((resid  12 and name HG2* ))   ( (resid  13 and name HA   )) assign ((resid  12 and name HG2* ))   ( (resid  16 and name HD1* )) assign ((resid  63 and name HG2* ))   ( (resid  63 and name HD1* )) assign ((resid  63 and name HG2* ))   ( (resid  88 and name HD2* )) assign ((resid  63 and name HG2* ))   ( (resid  90 and name HD1* )) assign ((resid  52 and name HD1* ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD1* ))   ( (resid  64 and name HN   )) assign ((resid  52 and name HG2* ))   ( (resid  64 and name HA   )) assign ((resid  63 and name HG2* ))   ( (resid  64 and name HA   )) assign ((resid  50 and name HD1* ))   ( (resid  65 and name HN   )) assign ((resid  50 and name HG2* ))   ( (resid  65 and name HN   )) assign ((resid  52 and name HD1* ))   ( (resid  65 and name HN   )) assign ((resid  50 and name HD1* ))   ( (resid  65 and name HB   )) assign ((resid  50 and name HG2* ))   ( (resid  65 and name HB   )) assign ((resid  66 and name HA   ))   ( (resid  66 and name HD1* )) assign ((resid  66 and name HD1* ))   ( (resid  89 and name HB2  )) assign ((resid  68 and name HA   ))   ( (resid  86 and name HA   )) assign ((resid  68 and name HB2  ))   ( (resid  84 and name HD1* )) assign ((resid  68 and name HD2  ))   ( (resid  84 and name HD1* )) assign ((resid  50 and name HD1* ))   ( (resid  68 and name HD1  )) assign ((resid  50 and name HD1* ))   ( (resid  68 and name HE1  )) assign ((resid  50 and name HG2* ))   ( (resid  68 and name HE1  )) assign ((resid  50 and name HG2* ))   ( (resid  68 and name HE2  )) assign ((resid  68 and name HB1  ))   ( (resid  84 and name HD1* )) assign ((resid  69 and name HA   ))   ( (resid  70 and name HN   )) assign ((resid  74 and name HA   ))   ( (resid  75 and name HN   )) assign ((resid  56 and name HN   ))   ( (resid  58 and name HG1  )) assign ((resid  75 and name HB1  ))   ( (resid  76 and name HN   )) assign ((resid  76 and name HA2  ))   ( (resid  78 and name HN   )) assign ((resid  76 and name HA1  ))   ( (resid  78 and name HN   )) assign ((resid  76 and name HA2  ))   ( (resid  79 and name HN   )) assign ((resid  76 and name HA1  ))   ( (resid  79 and name HN   )) assign ((resid  80 and name HG2  ))   ( (resid  81 and name HA   )) assign ((resid  80 and name HG1  ))   ( (resid  81 and name HA   )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HG2* )) assign ((resid  83 and name HA   ))   ( (resid  83 and name HG2* )) assign ((resid  83 and name HG2* ))   ( (resid 106 and name HB2  )) assign ((resid  83 and name HB   ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HG2* ))   ( (resid 107 and name HN   )) assign ((resid 111 and name HB2  ))   ( (resid 114 and name HB2  )) assign ((resid 111 and name HB1  ))   ( (resid 114 and name HB2  )) assign ((resid  23 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  84 and name HA   ))   ( (resid  85 and name HN   )) assign ((resid  85 and name HA   ))   ( (resid 105 and name HG1* )) assign ((resid  85 and name HB1  ))   ( (resid 102 and name HB1  )) assign ((resid  86 and name HN   ))   ( (resid 105 and name HG2* )) assign ((resid 101 and name HG1  ))   ( (resid 103 and name HG   )) assign ((resid  16 and name HG2* ))   ( (resid  17 and name HA   )) assign ((resid  66 and name HD1* ))   ( (resid  87 and name HB2  )) assign ((resid 112 and name HD2  ))   ( (resid 114 and name HD1* )) assign ((resid  87 and name HB2  ))   ( (resid  88 and name HN   )) assign ((resid  88 and name HN   ))   ( (resid 101 and name HB1  )) assign ((resid  63 and name HG2* ))   ( (resid  88 and name HA   )) assign ((resid  88 and name HB2  ))   ( (resid  88 and name HD1* )) assign ((resid  88 and name HB2  ))   ( (resid  88 and name HD2* )) assign ((resid  63 and name HB   ))   ( (resid  88 and name HD1* )) assign ((resid  63 and name HB   ))   ( (resid  88 and name HD2* )) assign ((resid  66 and name HD1* ))   ( (resid  89 and name HA   )) assign ((resid  89 and name HA   ))   ( (resid  99 and name HB2  )) assign ((resid  89 and name HA   ))   ( (resid  99 and name HB1  )) assign ((resid  66 and name HD1* ))   ( (resid  89 and name HB1  )) assign ((resid  89 and name HB2  ))   ( (resid  90 and name HN   )) assign ((resid  89 and name HB1  ))   ( (resid  90 and name HN   )) assign ((resid  90 and name HA   ))   ( (resid  90 and name HD1* )) assign ((resid  90 and name HA   ))   ( (resid  91 and name HG2* )) assign ((resid  13 and name HG2* ))   ( (resid  90 and name HG   )) assign ((resid  63 and name HA   ))   ( (resid  90 and name HD1* )) assign ((resid  16 and name HG2* ))   ( (resid  63 and name HG2* )) assign ((resid  88 and name HB1  ))   ( (resid  90 and name HD1* )) assign ((resid  90 and name HD2* ))   ( (resid  99 and name HB2  )) assign ((resid  90 and name HD2* ))   ( (resid 100 and name HA   )) assign ((resid  90 and name HD2* ))   ( (resid 101 and name HG2  )) assign ((resid  90 and name HD2* ))   ( (resid 101 and name HG1  )) assign ((resid  62 and name HB1  ))   ( (resid  91 and name HN   )) assign ((resid  91 and name HA   ))   ( (resid  98 and name HG2* )) assign ((resid  91 and name HA   ))   ( (resid  91 and name HG2* )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HA   )) assign ((resid  91 and name HG2* ))   ( (resid  96 and name HA   )) assign ((resid  91 and name HG2* ))   ( (resid  92 and name HN   )) assign ((resid  92 and name HA   ))   ( (resid  93 and name HB2  )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HN   )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG1  )) assign ((resid  94 and name HB1  ))   ( (resid  95 and name HN   )) assign ((resid  95 and name HN   ))   ( (resid  96 and name HB2  )) assign ((resid  95 and name HA   ))   ( (resid  96 and name HB2  )) assign ((resid  62 and name HB2  ))   ( (resid  91 and name HG2* )) assign ((resid  96 and name HA   ))   ( (resid  96 and name HD22 )) assign ((resid  96 and name HB2  ))   ( (resid  96 and name HD22 )) assign ((resid  91 and name HG2* ))   ( (resid  97 and name HN   )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HG2  )) assign ((resid  97 and name HA   ))   ( (resid  98 and name HB   )) assign ((resid  98 and name HN   ))   ( (resid  98 and name HG1* )) assign ((resid  98 and name HN   ))   ( (resid  98 and name HG2* )) assign ((resid  91 and name HG2* ))   ( (resid  98 and name HA   )) assign ((resid  98 and name HA   ))   ( (resid  98 and name HG1* )) assign ((resid  98 and name HA   ))   ( (resid  98 and name HG2* )) assign ((resid  98 and name HG2* ))   ( (resid  99 and name HA   )) assign ((resid  98 and name HB   ))   ( (resid  99 and name HN   )) assign ((resid  98 and name HG2* ))   ( (resid  99 and name HN   )) assign ((resid  89 and name HA   ))   ( (resid 100 and name HA   )) assign ((resid  98 and name HG1* ))   ( (resid 100 and name HE2  )) assign ((resid  98 and name HG2* ))   ( (resid 100 and name HE2  )) assign ((resid  13 and name HG1* ))   ( (resid 101 and name HN   )) assign ((resid 101 and name HN   ))   ( (resid 101 and name HG2  )) assign ((resid 101 and name HA   ))   ( (resid 102 and name HB2  )) assign ((resid 101 and name HA   ))   ( (resid 102 and name HB1  )) assign ((resid  13 and name HG1* ))   ( (resid 101 and name HB1  )) assign ((resid  88 and name HB1  ))   ( (resid 101 and name HB1  )) assign ((resid  88 and name HB2  ))   ( (resid 101 and name HB1  )) assign ((resid  13 and name HG2* ))   ( (resid 101 and name HG2  )) assign ((resid  13 and name HG1* ))   ( (resid 101 and name HG2  )) assign ((resid 101 and name HB2  ))   ( (resid 102 and name HN   )) assign ((resid 101 and name HG2  ))   ( (resid 102 and name HN   )) assign ((resid  85 and name HA   ))   ( (resid 103 and name HB2  )) assign ((resid 102 and name HA   ))   ( (resid 103 and name HB2  )) assign ((resid 103 and name HB2  ))   ( (resid 103 and name HD2* )) assign ((resid 103 and name HB1  ))   ( (resid 103 and name HD2* )) assign ((resid 103 and name HA   ))   ( (resid 104 and name HN   )) assign ((resid 103 and name HB2  ))   ( (resid 104 and name HN   )) assign ((resid 103 and name HB1  ))   ( (resid 104 and name HN   )) assign ((resid  83 and name HG2* ))   ( (resid 105 and name HN   )) assign ((resid 105 and name HA   ))   ( (resid 105 and name HG2* )) assign ((resid 105 and name HG1* ))   ( (resid 106 and name HN   )) assign ((resid 106 and name HB1  ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HA   ))   ( (resid 108 and name HN   )) assign ((resid 105 and name HG2* ))   ( (resid 108 and name HD1  )) assign ((resid 105 and name HG2* ))   ( (resid 108 and name HE1  )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HD1  )) assign ((resid 109 and name HD2  ))   ( (resid 110 and name HN   )) assign ((resid 111 and name HB1  ))   ( (resid 111 and name HD22 )) assign ((resid 112 and name HB1  ))   ( (resid 113 and name HN   )) assign ((resid 113 and name HB1  ))   ( (resid 114 and name HN   )) assign ((resid   6 and name HB2  ))   ( (resid   6 and name HD22 )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HD2* )) assign ((resid 114 and name HA   ))   ( (resid 114 and name HD2* )) assign ((resid 114 and name HG   ))   ( (resid 115 and name HN   )) assign ((resid  63 and name HG2* ))   ( (resid  88 and name HD1* )) assign ((resid  28 and name HB*  ))   ( (resid  48 and name HB2  )) assign ((resid  28 and name HB*  ))   ( (resid  29 and name HB1  )) assign ((resid  70 and name HA   ))   ( (resid  78 and name HB*  )) assign ((resid  78 and name HB*  ))   ( (resid  80 and name HA   )) assign ((resid  58 and name HA   ))   ( (resid  58 and name HE21 )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HG2* )) assign ((resid  67 and name HN   ))   ( (resid  87 and name HB1  )) assign ((resid  87 and name HB1  ))   ( (resid  88 and name HN   )) assign ((resid  58 and name HE22 ))   ( (resid  61 and name HB1  )) assign ((resid  61 and name HB2  ))   ( (resid  61 and name HD1* )) assign ((resid  61 and name HD1* ))   ( (resid  90 and name HB1  )) assign ((resid 114 and name HB2  ))   ( (resid 114 and name HD1* )) assign ((resid  29 and name HA   ))   ( (resid  30 and name HG2  )) assign ((resid  50 and name HB   ))   ( (resid  65 and name HB   )) assign ((resid  50 and name HB   ))   ( (resid  52 and name HG12 )) assign ((resid  63 and name HG12 ))   ( (resid  90 and name HD1* )) assign ((resid  63 and name HG11 ))   ( (resid  90 and name HD1* )) assign ((resid  85 and name HA   ))   ( (resid  86 and name HD1* )) assign ((resid  85 and name HA   ))   ( (resid  86 and name HD2* )) assign ((resid  13 and name HB   ))   ( (resid  90 and name HG   )) assign ((resid  90 and name HG   ))   ( (resid 101 and name HB2  )) assign ((resid  90 and name HG   ))   ( (resid  99 and name HD1  )) assign ((resid  90 and name HN   ))   ( (resid  90 and name HG   )) assign ((resid  29 and name HD2  ))   ( (resid  37 and name HG   )) assign ((resid  29 and name HB2  ))   ( (resid  37 and name HG   )) assign ((resid  29 and name HB1  ))   ( (resid  37 and name HG   )) assign ((resid  90 and name HB2  ))   ( (resid  98 and name HA   )) assign ((resid  90 and name HB2  ))   ( (resid  99 and name HA   )) assign ((resid  83 and name HB   ))   ( (resid 106 and name HA   )) assign ((resid  83 and name HB   ))   ( (resid  84 and name HA   )) assign ((resid  83 and name HB   )) 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)) assign ((resid  18 and name HB1  ))   ( (resid  19 and name HN   )) assign ((resid  68 and name HB1  ))   ( (resid  84 and name HD2* )) assign ((resid  68 and name HB2  ))   ( (resid  84 and name HD2* )) assign ((resid  39 and name HA   ))   ( (resid  84 and name HD2* )) assign ((resid  68 and name HD2  ))   ( (resid  84 and name HD2* )) assign ((resid  70 and name HD1  ))   ( (resid  84 and name HD2* )) assign ((resid  84 and name HD2* ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HN   ))   ( (resid  84 and name HD2* )) assign ((resid  86 and name HB1  ))   ( (resid  87 and name HN   )) assign ((resid  86 and name HB1  ))   ( (resid 103 and name HB2  )) assign ((resid  86 and name HB2  ))   ( (resid 103 and name HB2  )) assign ((resid  65 and name HG2* ))   ( (resid  86 and name HB2  )) assign ((resid  65 and name HG2* ))   ( (resid  86 and name HB1  )) assign ((resid  85 and name HB1  ))   ( (resid  86 and name HN   )) assign ((resid  85 and name HB2  ))   ( (resid  86 and name HN   )) assign ((resid  69 and name HN   ))   ( (resid  85 and name HB1  )) assign ((resid  85 and name HB1  ))   ( (resid 103 and name HN   )) assign ((resid  69 and name HA   ))   ( (resid  85 and name HB2  )) assign ((resid  84 and name HA   ))   ( (resid  85 and name HB2  )) assign ((resid  85 and name HB1  ))   ( (resid 104 and name HA   )) assign ((resid  85 and name HA   ))   ( (resid  85 and name HD2  )) assign ((resid  85 and name HA   ))   ( (resid  85 and name HD1  )) assign ((resid  85 and name HN   ))   ( (resid  85 and name HD2  )) assign ((resid  85 and name HN   ))   ( (resid  85 and name HD1  )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HB   )) assign ((resid 102 and name HA   ))   ( (resid 103 and name HD2* )) assign ((resid  16 and name HG2* ))   ( (resid  58 and name HE22 )) assign ((resid  18 and name HB2  ))   ( (resid  34 and name HN   )) assign ((resid  21 and name HB   ))   ( (resid  22 and name HB1  )) assign ((resid  26 and name HB2  ))   ( (resid  29 and name HB1  )) assign ((resid  24 and name HE2  ))   ( (resid  26 and name HD1* )) assign ((resid  24 and name HE2  ))   ( (resid  26 and name HD2* )) assign ((resid  29 and name HB2  ))   ( (resid  32 and name HG2  )) assign ((resid  29 and name HB2  ))   ( (resid  32 and name HG1  )) assign ((resid  31 and name HA   ))   ( (resid  32 and name HN   )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HB2  )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HB1  )) assign ((resid  42 and name HG2* ))   ( (resid  45 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  50 and name HG11 )) assign ((resid  46 and name HA   ))   ( (resid  50 and name HG12 )) assign ((resid  24 and name HE2  ))   ( (resid  50 and name HG2* )) assign ((resid  24 and name HA   ))   ( (resid  52 and name HA   )) assign ((resid  22 and name HB2  ))   ( (resid  54 and name HA   )) assign ((resid  22 and name HB1  ))   ( (resid  54 and name HA   )) assign ((resid  54 and name HN   ))   ( (resid  54 and name HG2  )) assign ((resid  54 and name HN   ))   ( (resid  54 and name HG1  )) assign ((resid  45 and name HN   ))   ( (resid  48 and name HB2  )) assign ((resid  58 and name HB2  ))   ( (resid  58 and name HE21 )) assign ((resid  58 and name HB1  ))   ( (resid  58 and name HE22 )) assign ((resid  58 and name HB1  ))   ( (resid  58 and name HE21 )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HD2  )) assign ((resid  60 and name HA   ))   ( (resid  61 and name HA   )) assign ((resid  60 and name HA   ))   ( (resid  61 and name HB2  )) assign ((resid  61 and name HB2  ))   ( (resid  92 and name HA   )) assign ((resid  60 and name HA   ))   ( (resid  61 and name HB1  )) assign ((resid  61 and name HB1  ))   ( (resid  92 and name HA   )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HD1* )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HD2* )) assign ((resid   6 and name HA   ))   ( (resid   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((resid  22 and name HD2  ))   ( (resid  52 and name HG11 )) assign ((resid  68 and name HD2  ))   ( (resid  69 and name HN   )) assign ((resid  68 and name HD2  ))   ( (resid  86 and name HB1  )) assign ((resid  68 and name HD2  ))   ( (resid  86 and name HB2  )) assign ((resid  68 and name HE2  ))   ( (resid  86 and name HB1  )) assign ((resid  35 and name HA   ))   ( (resid 108 and name HE2  )) assign ((resid  13 and name HG2* ))   ( (resid  99 and name HD1  )) assign ((resid  29 and name HE2  ))   ( (resid  41 and name HB2  )) assign ((resid  12 and name HD1* ))   ( (resid  57 and name HD1  )) assign ((resid  90 and name HD2* ))   ( (resid  99 and name HD1  )) assign ((resid  42 and name HG2* ))   ( (resid  68 and name HE1  )) assign ((resid  42 and name HG2* ))   ( (resid  68 and name HE2  )) assign ((resid  70 and name HD2  ))   ( (resid  78 and name HB*  )) assign ((resid  99 and name HN   ))   ( (resid 100 and name HE2  )) assign ((resid  21 and name HB   ))   ( (resid  22 and name HD1  )) assign ((resid  26 and name HB2  ))   ( (resid  29 and name HD2  )) assign ((resid  43 and name HD2  ))   ( (resid  44 and name HA   )) assign ((resid  67 and name HA   ))   ( (resid  68 and name HD1  )) assign ((resid  89 and name HB2  ))   ( (resid 100 and name HE2  )) assign ((resid  99 and name HD1  ))   ( (resid 101 and name HB2  )) assign ((resid  89 and name HB1  ))   ( (resid 100 and name HE2  )) assign ((resid  99 and name HA   ))   ( (resid  99 and name HD2  )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD2  )) assign ((resid  84 and name HB2  ))   ( (resid 108 and name HD1  )) assign ((resid  84 and name HB2  ))   ( (resid 108 and name HE1  )) assign ((resid 113 and name HB1  ))   ( (resid 113 and name HE1  )) assign ((resid  26 and name HB1  ))   ( (resid  29 and name HD2  )) assign ((resid  24 and name HE1  ))   ( (resid  34 and name HA   )) assign ((resid  34 and name HA   ))   ( (resid  34 and name HD1  )) assign ((resid  34 and name HA   )) 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(resid  22 and name HD1  )) assign ((resid  22 and name HA   ))   ( (resid  22 and name HD2  )) assign ((resid   6 and name HD22 ))   ( (resid   9 and name HD2  )) assign ((resid  34 and name HD1  ))   ( (resid  36 and name HN   )) assign ((resid   2 and name HA   ))   ( (resid   2 and name HD*  )) assign ((resid   2 and name HB*  ))   ( (resid   3 and name HN   )) assign ((resid   3 and name HB*  ))   ( (resid   4 and name HN   )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HG*  )) assign ((resid   4 and name HA   ))   ( (resid   8 and name HB*  )) assign ((resid   4 and name HB*  ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HG*  ))   ( (resid   5 and name HN   )) assign ((resid   5 and name HN   ))   ( (resid   8 and name HB*  )) assign ((resid   5 and name HA   ))   ( (resid   8 and name HB*  )) assign ((resid   5 and name HB*  ))   ( (resid   8 and name HB*  )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HB*  )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HD*  )) assign ((resid   7 and name HB2  ))   ( (resid  10 and name HD*  )) assign ((resid   7 and name HB1  ))   ( (resid  10 and name HD*  )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HB*  )) assign ((resid   8 and name HA   ))   ( (resid  11 and name HD*  )) assign ((resid   8 and name HB*  ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HB*  ))   ( (resid   9 and name HD2  )) assign ((resid   8 and name HB*  ))   ( (resid  11 and name HB1  )) assign ((resid   9 and name HN   ))   ( (resid   9 and name HB*  )) assign ((resid   9 and name HB*  ))   ( (resid  10 and name HN   )) assign ((resid   9 and name HB*  ))   ( (resid  12 and name HD1* )) assign ((resid  10 and name HA   ))   ( (resid  10 and name HD*  )) assign ((resid  10 and name HG2  ))   ( (resid  10 and name HD*  )) assign ((resid  11 and name HA   ))   ( (resid  11 and name HD*  )) assign ((resid  11 and name HG*  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HG*  ))   ( (resid  14 and name HB2  )) assign ((resid  11 and name HG*  ))   ( (resid  15 and name HN   )) assign ((resid  11 and name HG*  ))   ( (resid  15 and name HB2  )) assign ((resid  11 and name HG*  ))   ( (resid  15 and name HD22 )) assign ((resid  11 and name HD*  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HD*  ))   ( (resid  15 and name HD21 )) assign ((resid  11 and name HD*  ))   ( (resid  15 and name HD22 )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG1* )) assign ((resid  12 and name HG2* ))   ( (resid  12 and name HG1* )) assign ((resid  13 and name HG1* ))   ( (resid 101 and name HD*  )) assign ((resid  13 and name HG2* ))   ( (resid 101 and name HD*  )) assign ((resid  14 and name HN   ))   ( (resid 101 and name HD*  )) assign ((resid  14 and name HA   ))   ( (resid 101 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  88 and name HD*  )) assign ((resid  16 and name HD1* ))   ( (resid  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HG   ))   ( (resid  19 and name HB*  )) assign ((resid  18 and name HG   ))   ( (resid  86 and name HD*  )) assign ((resid  18 and name HD*  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HD*  ))   ( (resid  19 and name HA   )) assign ((resid  18 and name HD*  ))   ( (resid  19 and name HB*  )) assign ((resid  18 and name HD*  ))   ( (resid  19 and name HG*  )) assign ((resid  18 and name HD*  ))   ( (resid  20 and name HN   )) assign ((resid  18 and name HD*  ))   ( (resid  23 and name HA   )) assign ((resid  18 and name HD*  ))   ( (resid  24 and name HN   )) assign ((resid  18 and name HD*  ))   ( (resid  24 and name HB1  )) assign ((resid  18 and name HD*  ))   ( (resid  24 and name HD1  )) assign ((resid  18 and name HD*  ))   ( (resid  24 and name HE1  )) assign ((resid  18 and name HD*  ))   ( (resid  34 and name HN   )) assign ((resid  18 and name HD*  ))   ( (resid  34 and name HB*  )) assign ((resid  18 and name HD*  ))   ( (resid  34 and name HD1  )) assign ((resid  18 and name HD*  ))   ( (resid  34 and name HE1  )) assign ((resid  18 and name HD*  ))   ( (resid  34 and name HE2  )) assign ((resid  18 and name HD*  ))   ( (resid  34 and name HD2  )) assign ((resid  18 and name HD*  ))   ( (resid  68 and name HE2  )) assign ((resid  18 and name HD*  ))   ( (resid  86 and name HG   )) assign ((resid  18 and name HD*  ))   ( (resid  86 and name HD*  )) assign ((resid  18 and name HD*  ))   ( (resid 105 and name HA   )) assign ((resid  18 and name HD*  ))   ( (resid 105 and name HB   )) assign ((resid  18 and name HD*  ))   ( (resid 105 and name HG1* )) assign ((resid  18 and name HD*  ))   ( (resid 105 and name HG2* )) assign ((resid  18 and name HD*  ))   ( (resid 106 and name HN   )) assign ((resid  18 and name HD*  ))   ( (resid 108 and name HE1  )) assign ((resid  18 and name HD*  ))   ( (resid 108 and name HE2  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HG*  )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HG*  )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HD*  )) assign ((resid  19 and name HB*  ))   ( (resid  19 and name HD*  )) assign ((resid  19 and name HB*  ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HG*  ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HG*  ))   ( (resid  34 and name HE1  )) assign ((resid  19 and name HG*  ))   ( (resid  34 and name HE2  )) assign ((resid  19 and name HD*  ))   ( (resid  34 and name HE1  )) assign ((resid  21 and name HA   ))   ( (resid  56 and name HB*  )) assign ((resid  21 and name HA   ))   ( (resid  56 and name HG*  )) assign ((resid  21 and name HB   ))   ( (resid  56 and name HD*  )) assign ((resid  22 and name HA   ))   ( (resid  55 and name HB*  )) assign ((resid  23 and name HN   ))   ( (resid  53 and name HB*  )) assign ((resid  23 and name HB*  ))   ( (resid  34 and name HE2  )) assign ((resid  23 and name HB*  ))   ( (resid  53 and name HN   )) assign ((resid  23 and name HB*  )) 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(resid  33 and name HN   )) assign ((resid  32 and name HB*  ))   ( (resid  37 and name HB*  )) assign ((resid  32 and name HB*  ))   ( (resid  37 and name HG   )) assign ((resid  32 and name HB*  ))   ( (resid  37 and name HD*  )) assign ((resid  32 and name HG*  ))   ( (resid  37 and name HB*  )) assign ((resid  32 and name HG*  ))   ( (resid  37 and name HD*  )) assign ((resid  33 and name HN   ))   ( (resid  37 and name HD*  )) assign ((resid  33 and name HB2  ))   ( (resid  36 and name HG*  )) assign ((resid  33 and name HB1  ))   ( (resid  36 and name HB*  )) assign ((resid  33 and name HB1  ))   ( (resid  36 and name HG*  )) assign ((resid  34 and name HN   ))   ( (resid  34 and name HB*  )) assign ((resid  34 and name HA   ))   ( (resid  37 and name HB*  )) assign ((resid  34 and name HB*  ))   ( (resid 108 and name HN   )) assign ((resid  34 and name HB*  ))   ( (resid 108 and name HE2  )) assign ((resid  34 and name HB*  ))   ( (resid 108 and name HD2  )) assign ((resid  35 and name HN   ))   ( (resid  35 and name HB*  )) assign ((resid  35 and name HN   ))   ( (resid  36 and name HG*  )) assign ((resid  35 and name HB*  ))   ( (resid  36 and name HN   )) assign ((resid  36 and name HN   ))   ( (resid  36 and name HG*  )) assign ((resid  36 and name HN   ))   ( (resid  37 and name HD*  )) assign ((resid  36 and name HB*  ))   ( (resid  37 and name HN   )) assign ((resid  36 and name HB*  ))   ( (resid  37 and name HD*  )) assign ((resid  36 and name HG*  ))   ( (resid  37 and name HN   )) assign ((resid  37 and name HN   ))   ( (resid  37 and name HD*  )) assign ((resid  37 and name HA   ))   ( (resid  37 and name HD*  )) assign ((resid  37 and name HB*  ))   ( (resid  38 and name HN   )) assign ((resid  37 and name HB*  ))   ( (resid  41 and name HB*  )) assign ((resid  37 and name HB*  ))   ( (resid  41 and name HG*  )) assign ((resid  37 and name HG   ))   ( (resid  41 and name HB*  )) assign ((resid  37 and name HD*  ))   ( (resid  38 and name HN   )) assign ((resid  37 and name HD*  ))   ( (resid  41 and name HN   )) assign ((resid  37 and name HD*  ))   ( (resid  41 and name HB*  )) assign ((resid  37 and name HD*  ))   ( (resid  42 and name HN   )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HB*  )) assign ((resid  38 and name HN   ))   ( (resid  41 and name HB*  )) assign ((resid  38 and name HN   ))   ( (resid  41 and name HG*  )) assign ((resid  38 and name HB*  ))   ( (resid  40 and name HN   )) assign ((resid  38 and name HB*  ))   ( (resid  41 and name HN   )) assign ((resid  38 and name HB*  ))   ( (resid  41 and name HG*  )) assign ((resid  38 and name HG   ))   ( (resid  41 and name HG*  )) assign ((resid  39 and name HA   ))   ( (resid  84 and name HD*  )) assign ((resid  39 and name HB*  ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB*  ))   ( (resid  84 and name HD*  )) assign ((resid  39 and name HG*  ))   ( (resid  40 and name HN   )) assign ((resid  40 and name HB*  ))   ( (resid  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HB*  ))   ( (resid  44 and name HG*  )) assign ((resid  43 and name HD2  ))   ( (resid  44 and name HG*  )) assign ((resid  43 and name HD2  ))   ( (resid  44 and name HD*  )) assign ((resid  44 and name HN   ))   ( (resid  44 and name HG*  )) assign ((resid  44 and name HA   ))   ( (resid  44 and name HD*  )) assign ((resid  44 and name HB1  ))   ( (resid  44 and name HD*  )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HB*  )) assign ((resid  45 and name HA   ))   ( (resid  48 and name HG*  )) assign ((resid  45 and name HB*  ))   ( (resid  46 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  50 and name HG1* )) assign ((resid  46 and name HB*  ))   ( (resid  50 and name HD1* )) assign ((resid  46 and name HB*  ))   ( (resid  68 and name HE1  )) assign ((resid  47 and name HB*  ))   ( (resid  48 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HG*  )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HG1* )) assign 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name HN   )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HB*  )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HG*  )) assign ((resid  56 and name HA   ))   ( (resid  56 and name HD*  )) assign ((resid  56 and name HB*  ))   ( (resid  56 and name HD*  )) assign ((resid  56 and name HB*  ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HB*  ))   ( (resid  57 and name HD2  )) assign ((resid  56 and name HB*  ))   ( (resid  58 and name HN   )) assign ((resid  56 and name HG*  ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HG*  ))   ( (resid  57 and name HB2  )) assign ((resid  56 and name HD*  ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HD*  ))   ( (resid  57 and name HB2  )) assign ((resid  56 and name HD*  ))   ( (resid  57 and name HB1  )) assign ((resid  56 and name HD*  ))   ( (resid  57 and name HD2  )) assign ((resid  58 and name HE22 ))   ( (resid  88 and name HD*  )) assign ((resid  59 and name HN   )) 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)) assign ((resid  67 and name HB*  ))   ( (resid  68 and name HN   )) assign ((resid  67 and name HB*  ))   ( (resid  69 and name HD*  )) assign ((resid  68 and name HN   ))   ( (resid  69 and name HD*  )) assign ((resid  68 and name HA   ))   ( (resid  69 and name HD*  )) assign ((resid  68 and name HB*  ))   ( (resid  69 and name HN   )) assign ((resid  68 and name HB*  ))   ( (resid  70 and name HD1  )) assign ((resid  68 and name HB*  ))   ( (resid  70 and name HE1  )) assign ((resid  68 and name HB*  ))   ( (resid  84 and name HD*  )) assign ((resid  68 and name HE2  ))   ( (resid  84 and name HD*  )) assign ((resid  68 and name HE2  ))   ( (resid  86 and name HD*  )) assign ((resid  68 and name HD2  ))   ( (resid  84 and name HD*  )) assign ((resid  68 and name HD2  ))   ( (resid  86 and name HD*  )) assign ((resid  69 and name HN   ))   ( (resid  69 and name HD*  )) assign ((resid  69 and name HA   ))   ( (resid  70 and name HB*  )) assign ((resid  69 and name HB*  ))   ( (resid  70 and name HN   )) assign ((resid  69 and name HB*  ))   ( (resid  85 and name HN   )) assign ((resid  69 and name HD*  ))   ( (resid  70 and name HN   )) assign ((resid  69 and name HD*  ))   ( (resid  86 and name HA   )) assign ((resid  70 and name HB*  ))   ( (resid  73 and name HN   )) assign ((resid  70 and name HB*  ))   ( (resid  73 and name HA*  )) assign ((resid  70 and name HB*  ))   ( (resid  74 and name HN   )) assign ((resid  70 and name HB*  ))   ( (resid  78 and name HB*  )) assign ((resid  70 and name HD1  ))   ( (resid  84 and name HD*  )) assign ((resid  70 and name HE1  ))   ( (resid  84 and name HD*  )) assign ((resid  72 and name HB*  ))   ( (resid  73 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  77 and name HB*  )) assign ((resid  74 and name HB*  ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HB*  ))   ( (resid  76 and name HN   )) assign ((resid  74 and name HB*  ))   ( (resid  76 and name HA*  )) assign ((resid  74 and name HB*  ))   ( (resid  77 and name HN   )) assign ((resid  74 and name HB*  ))   ( (resid  77 and name HB*  )) assign ((resid  74 and name HB*  ))   ( (resid  78 and name HN   )) assign ((resid  74 and name HB*  ))   ( (resid  78 and name HB*  )) assign ((resid  75 and name HB*  ))   ( (resid  76 and name HN   )) assign ((resid  76 and name HA*  ))   ( (resid  78 and name HN   )) assign ((resid  76 and name HA*  ))   ( (resid  79 and name HB*  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HB*  )) assign ((resid  77 and name HA   ))   ( (resid  80 and name HD*  )) assign ((resid  77 and name HB*  ))   ( (resid  78 and name HB*  )) assign ((resid  77 and name HB*  ))   ( (resid  80 and name HB1  )) assign ((resid  78 and name HA   ))   ( (resid  84 and name HD*  )) assign ((resid  78 and name HB*  ))   ( (resid  79 and name HB*  )) assign ((resid  78 and name HB*  ))   ( (resid  84 and name HD*  )) assign ((resid  79 and name HB*  ))   ( (resid  80 and name HN   )) assign ((resid  80 and name HN   ))   ( (resid  80 and name HD*  )) assign ((resid  80 and name HA   ))   ( (resid  80 and name HD*  )) assign ((resid  80 and name HA   ))   ( (resid 111 and name HB*  )) assign ((resid  80 and name HB2  ))   ( (resid  80 and name HD*  )) assign ((resid  80 and name HG2  ))   ( (resid  81 and name HB*  )) assign ((resid  80 and name HG1  ))   ( (resid  81 and name HB*  )) assign ((resid  80 and name HD*  ))   ( (resid 112 and name HA   )) assign ((resid  81 and name HN   ))   ( (resid  81 and name HB*  )) assign ((resid  81 and name HB*  ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HB*  ))   ( (resid  83 and name HN   )) assign ((resid  81 and name HB*  ))   ( (resid  83 and name HB   )) assign ((resid  81 and name HB*  ))   ( (resid  83 and name HG2* )) assign ((resid  83 and name HN   ))   ( (resid  84 and name HD*  )) assign ((resid  83 and name HG2* ))   ( (resid 104 and name HB*  )) assign ((resid  83 and name HG2* ))   ( (resid 106 and name HB*  )) assign ((resid  84 and name HN   ))   ( (resid  84 and name HD*  )) assign ((resid  84 and name HA   ))   ( (resid  84 and name HD*  )) assign ((resid  84 and name HB1  ))   ( (resid  86 and name HD*  )) assign ((resid  84 and name HD*  ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HD*  ))   ( (resid  85 and name HG*  )) assign ((resid  84 and name HD*  ))   ( (resid  86 and name HA   )) assign ((resid  84 and name HD*  ))   ( (resid  86 and name HD*  )) assign ((resid  84 and name HD*  ))   ( (resid 108 and name HD1  )) assign ((resid  84 and name HD*  ))   ( (resid 108 and name HE1  )) assign ((resid  84 and name HD*  ))   ( (resid 108 and name HE2  )) assign ((resid  84 and name HD*  ))   ( (resid 108 and name HD2  )) assign ((resid  85 and name HN   ))   ( (resid  85 and name HG*  )) assign ((resid  85 and name HN   ))   ( (resid  86 and name HD*  )) assign ((resid  85 and name HA   ))   ( (resid  85 and name HD*  )) assign ((resid  85 and name HA   ))   ( (resid  86 and name HD*  )) assign ((resid  85 and name HB2  ))   ( (resid 102 and name HD*  )) assign ((resid  85 and name HB1  ))   ( (resid 102 and name HD*  )) assign ((resid  85 and name HB1  ))   ( (resid 104 and name HB*  )) assign ((resid  85 and name HB1  ))   ( (resid 104 and name HG*  )) assign ((resid  85 and name HG*  ))   ( (resid 104 and name HN   )) assign ((resid  85 and name HG*  ))   ( (resid 104 and name HA   )) assign ((resid  85 and name HG*  ))   ( (resid 104 and name HB*  )) assign ((resid  85 and name HD*  ))   ( (resid 102 and name HD*  )) assign ((resid  86 and name HN   ))   ( (resid  86 and name HD*  )) assign ((resid  86 and name HN   ))   ( (resid 102 and name HD*  )) assign ((resid  86 and name HA   ))   ( (resid  88 and name HD*  )) assign ((resid  86 and name HB2  ))   ( (resid  88 and name HD*  )) assign ((resid  86 and name HB1  ))   ( (resid  88 and name HD*  )) assign ((resid  86 and name HD*  ))   ( (resid  87 and name HN   )) assign ((resid  86 and name HD*  ))   ( (resid 103 and name HN   )) assign ((resid  86 and name HD*  ))   ( (resid 103 and name HB2  )) assign ((resid  86 and name HD*  ))   ( (resid 103 and name HB1  )) assign ((resid  86 and name HD*  ))   ( (resid 105 and name HB   )) assign ((resid  86 and name HD*  ))   ( (resid 108 and name HE1  )) assign ((resid  86 and name HD*  ))   ( (resid 108 and name HE2  )) assign ((resid  87 and name HN   ))   ( (resid  88 and name HD*  )) assign ((resid  87 and name HN   ))   ( (resid 102 and name HD*  )) assign ((resid  87 and name HA   ))   ( (resid 102 and name HD*  )) assign ((resid  87 and name HB*  ))   ( (resid  88 and name HN   )) assign ((resid  87 and name HB*  ))   ( (resid 102 and name HD*  )) assign ((resid  88 and name HN   ))   ( (resid  88 and name HD*  )) assign ((resid  88 and name HA   ))   ( (resid  88 and name HD*  )) assign ((resid  88 and name HD*  ))   ( (resid  89 and name HN   )) assign ((resid  88 and name HD*  ))   ( (resid 101 and name HB2  )) assign ((resid  88 and name HD*  ))   ( (resid 101 and name HB1  )) assign ((resid  88 and name HD*  ))   ( (resid 101 and name HD*  )) assign ((resid  88 and name HD*  ))   ( (resid 103 and name HD2* )) assign ((resid  89 and name HA   ))   ( (resid  98 and name HG*  )) assign ((resid  89 and name HB*  ))   ( (resid  98 and name HG*  )) assign ((resid  89 and name HB*  ))   ( (resid 100 and name HA   )) assign ((resid  89 and name HB*  ))   ( (resid 100 and name HE2  )) assign ((resid  89 and name HB*  ))   ( (resid 100 and name HD2  )) assign ((resid  90 and name HN   ))   ( (resid  98 and name HG*  )) assign ((resid  90 and name HD2* ))   ( (resid 101 and name HD*  )) assign ((resid  91 and name HA   ))   ( (resid  98 and name HG*  )) assign ((resid  91 and name HB   ))   ( (resid  98 and name HG*  )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HG*  )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HD*  )) assign ((resid  92 and name HN   ))   ( (resid  93 and name HG*  )) assign ((resid  92 and name HA   ))   ( (resid  93 and name HG*  )) assign ((resid  92 and name HA   ))   ( (resid  94 and name HG*  )) assign ((resid  92 and name HB*  ))   ( (resid  93 and name HN   )) assign ((resid  92 and name HB*  ))   ( (resid  94 and name HN   )) assign ((resid  92 and name HB*  ))   ( (resid  94 and name HB*  )) assign ((resid  92 and name HB*  ))   ( (resid  94 and name HG*  )) assign ((resid  92 and name HB*  ))   ( (resid  95 and name HN   )) assign ((resid  92 and name HB*  ))   ( (resid  95 and name HA   )) assign ((resid  92 and name HB*  ))   ( (resid  96 and name HN   )) assign ((resid  92 and name HB*  ))   ( (resid  96 and name HA   )) assign ((resid  92 and name HB*  ))   ( (resid  97 and name HN   )) assign ((resid  92 and name HB*  ))   ( (resid  97 and name HA   )) assign ((resid  92 and name HB*  ))   ( (resid  97 and name HB2  )) assign ((resid  93 and name HN   ))   ( (resid  93 and name HG*  )) assign ((resid  93 and name HN   ))   ( (resid  93 and name HD*  )) assign ((resid  93 and name HB1  ))   ( (resid  93 and name HD*  )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG*  )) assign ((resid  94 and name HB*  ))   ( (resid  95 and name HN   )) assign ((resid  94 and name HB*  ))   ( (resid  95 and name HD2* )) assign ((resid  94 and name HG*  ))   ( (resid  95 and name HD2* )) assign ((resid  94 and name HG*  ))   ( (resid  96 and name HN   )) assign ((resid  95 and name HN   ))   ( (resid  95 and name HD2* )) assign ((resid  95 and name HB2  ))   ( (resid  95 and name HD2* )) assign ((resid  95 and name HD2* ))   ( (resid  96 and name HN   )) assign ((resid  97 and name HA   ))   ( (resid  98 and name HG*  )) assign ((resid  97 and name HB2  ))   ( (resid  97 and name HE*  )) assign ((resid  97 and name HB1  ))   ( (resid  97 and name HE*  )) assign ((resid  97 and name HG2  ))   ( (resid  97 and name HE*  )) assign ((resid  97 and name HG1  ))   ( (resid  97 and name HE*  )) assign ((resid  98 and name HN   ))   ( (resid  98 and name HG*  )) assign ((resid  98 and name HG*  ))   ( (resid  99 and name HN   )) assign ((resid  98 and name HG*  ))   ( (resid  99 and name HA   )) assign ((resid  98 and name HG*  ))   ( (resid  99 and name HB1  )) assign ((resid  98 and name HG*  ))   ( (resid 100 and name HN   )) assign ((resid  98 and name HG*  ))   ( (resid 100 and name HE2  )) assign ((resid  98 and name HG*  ))   ( (resid 100 and name HD2  )) assign ((resid  99 and name HD1  ))   ( (resid 101 and name HD*  )) assign ((resid 100 and name HB*  ))   ( (resid 100 and name HD1  )) assign ((resid 100 and name HB*  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HB*  ))   ( (resid 102 and name HD*  )) assign ((resid 101 and name HA   ))   ( (resid 101 and name HD*  )) assign ((resid 101 and name HA   ))   ( (resid 102 and name HD*  )) assign ((resid 101 and name HB2  ))   ( (resid 101 and name HD*  )) assign ((resid 101 and name HD*  ))   ( (resid 102 and name HN   )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HD*  )) assign ((resid 102 and name HA   ))   ( (resid 102 and name HD*  )) assign ((resid 102 and name HD*  ))   ( (resid 103 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HB*  )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG*  )) assign ((resid 104 and name HB*  ))   ( (resid 105 and name HN   )) assign ((resid 106 and name HB*  ))   ( (resid 107 and name HA*  )) assign ((resid 108 and name HB*  ))   ( (resid 109 and name HN   )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HG*  )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HD*  )) assign ((resid 109 and name HA   ))   ( (resid 109 and name HD*  )) assign ((resid 109 and name HA   ))   ( (resid 110 and name HB*  )) assign ((resid 109 and name HB1  ))   ( (resid 109 and name HD*  )) assign ((resid 109 and name HG*  ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HD*  ))   ( (resid 110 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 111 and name HB*  )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HN   )) assign ((resid 111 and name HA   ))   ( (resid 111 and name HD2* )) assign ((resid 111 and name HA   ))   ( (resid 112 and name HG*  )) assign ((resid 111 and name HB*  ))   ( (resid 111 and name HD2* )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HD2  )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HD1  )) assign ((resid 111 and name HB*  ))   ( (resid 113 and name HN   )) assign ((resid 111 and name HB*  ))   ( (resid 114 and name HB2  )) assign ((resid 111 and name HB*  ))   ( (resid 114 and name HD1* )) assign ((resid 111 and name HB*  ))   ( (resid 115 and name HN   )) assign ((resid 111 and name HB*  ))   ( (resid 115 and name HA   )) assign ((resid 111 and name HD2* ))   ( (resid 114 and name HB2  )) assign ((resid 111 and name HD2* ))   ( (resid 114 and name HB1  )) assign ((resid 112 and name HG*  ))   ( (resid 113 and name HN   )) assign ((resid 112 and name HG*  ))   ( (resid 113 and name HD1  )) assign ((resid 112 and name HG*  ))   ( (resid 114 and name HD1* )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HB*  )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HG*  )) assign ((resid 115 and name HG*  ))   ( (resid 116 and name HN   ))

4.34 2.54 0.87 5.07 3.27 1.01 5.92 4.12 1.18 5.65 3.85 1.13 5.44 3.64 1.09 5.64 3.84 1.13 6.17 4.37 1.23 4.32 2.52 0.86 5.35 3.55 1.07 4.75 2.95 0.95 4.75 2.95 0.95 4.84 3.04 0.97 3.57 1.77 0.71 3.35 1.55 0.67 3.98 2.18 0.80 3.98 2.18 0.80 4.93 3.13 0.99 4.93 3.13 0.99 3.45 1.65 0.69 3.93 2.13 0.79 3.18 1.38 0.64 4.27 2.47 0.85 4.44 2.64 0.89 5.26 3.46 1.05 5.78 3.98 1.16 5.34 3.54 1.07 4.77 2.97 0.95 3.99 2.19 0.80 3.99 2.19 0.80 3.74 1.94 0.75 4.31 2.51 0.86 5.01 3.21 1.00 4.87 3.07 0.97 4.35 2.55 0.87 4.44 2.64 0.89 3.41 1.61 0.68 3.98 2.18 0.80 4.65 2.85 0.93 3.50 1.70 0.70 3.68 1.88 0.74 4.01 2.21 0.80 3.95 2.15 0.79 4.78 2.98 0.96 5.06 3.26 1.01 3.61 1.81 0.72 4.20 2.40 0.84 4.69 2.89 0.94 4.99 3.19 1.00 4.19 2.39 0.84 4.19 2.39 0.84 4.44 2.64 0.89 4.83 3.03 0.97 4.65 2.85 0.93 4.17 2.37 0.83 4.14 2.34 0.83 3.83 2.03 0.77 3.89 2.09 0.78 3.86 2.06 0.77 3.78 1.98 0.76 4.05 2.25 0.81 4.56 2.76 0.91 3.99 2.19 0.80 4.93 3.13 0.99 4.17 2.37 0.83 4.57 2.77 0.91 4.69 2.89 0.94 3.43 1.63 0.69 5.13 3.33 1.03 4.98 3.18 1.00 4.00 2.20 0.80 4.42 2.62 0.88 3.68 1.88 0.74 5.14 3.34 1.03 3.94 2.14 0.79 4.81 3.01 0.96 3.67 1.87 0.73 3.23 1.43 0.65 5.38 3.58 1.08 4.81 3.01 0.96 4.81 3.01 0.96 4.45 2.65 0.89 5.24 3.44 1.05 5.64 3.84 1.13 4.38 2.58 0.88 4.42 2.62 0.88 4.20 2.40 0.84 4.16 2.36 0.83 3.46 1.66 0.69 5.73 3.93 1.15 6.15 4.35 1.23 4.67 2.87 0.93 3.97 2.17 0.79 4.19 2.39 0.84 4.12 2.32 0.82 5.41 3.61 1.08 4.15 2.35 0.83 4.38 2.58 0.88 4.24 2.44 0.85 3.78 1.98 0.76 3.68 1.88 0.74 2.73 0.93 0.55 4.04 2.24 0.81 2.96 1.16 0.59 3.18 1.38 0.64 3.95 2.15 0.79 4.26 2.46 0.85 3.95 2.15 0.79 3.09 1.29 0.62 3.30 1.50 0.66 3.06 1.26 0.61 3.42 1.62 0.68 3.41 1.61 0.68 4.37 2.57 0.87 3.57 1.77 0.71 3.57 1.77 0.71 3.04 1.24 0.61 3.57 1.77 0.71 3.50 1.70 0.70 3.44 1.64 0.69 2.86 1.06 0.57 3.24 1.44 0.65 5.15 3.35 1.03 5.50 3.70 1.10 4.83 3.03 0.97 4.69 2.89 0.94 3.95 2.15 0.79 4.34 2.54 0.87 3.91 2.11 0.78 5.02 3.22 1.00 4.55 2.75 0.91 4.91 3.11 0.98 4.72 2.92 0.94 3.99 2.19 0.80 4.34 2.54 0.87 3.98 2.18 0.80 4.11 2.31 0.82 4.55 2.75 0.91 5.65 3.85 1.13 6.02 4.22 1.20 4.25 2.45 0.85 4.38 2.58 0.88 3.07 1.27 0.61 2.94 1.14 0.59 3.38 1.58 0.68 3.99 2.19 0.80 4.45 2.65 0.89 4.50 2.70 0.90 3.25 1.45 0.65 3.76 1.96 0.75 3.09 1.29 0.62 3.31 1.51 0.66 4.68 2.88 0.94 3.85 2.05 0.77 3.40 1.60 0.68 5.24 3.44 1.05 4.10 2.30 0.82 4.28 2.48 0.86 4.63 2.83 0.93 3.97 2.17 0.79 4.42 2.62 0.88 3.37 1.57 0.67 3.30 1.50 0.66 3.83 2.03 0.77 4.75 2.95 0.95 3.05 1.25 0.61 4.91 3.11 0.98 3.37 1.57 0.67 3.37 1.57 0.67 4.12 2.32 0.82 3.47 1.67 0.69 4.40 2.60 0.88 4.21 2.41 0.84 4.94 3.14 0.99 3.42 1.62 0.68 4.36 2.56 0.87 4.53 2.73 0.91 3.31 1.51 0.66 3.43 1.63 0.69 4.09 2.29 0.82 4.12 2.32 0.82 4.98 3.18 1.00 3.77 1.97 0.75 3.85 2.05 0.77 5.77 3.97 1.15 3.39 1.59 0.68 3.19 1.39 0.64 3.38 1.58 0.68 5.13 3.33 1.03 3.18 1.38 0.64 6.09 4.29 1.22 6.50 4.70 1.30 6.50 4.70 1.30 3.90 2.10 0.78 6.50 4.70 1.30 6.13 4.33 1.23 5.17 3.37 1.03 5.40 3.60 1.08 4.43 2.63 0.89 4.18 2.38 0.84 3.25 1.45 0.65 4.70 2.90 0.94 4.36 2.56 0.87 4.16 2.36 0.83 3.70 1.90 0.74 4.16 2.36 0.83 3.04 1.24 0.61 4.76 2.96 0.95 5.35 3.55 1.07 3.26 1.46 0.65 2.98 1.18 0.60 3.33 1.53 0.67 4.83 3.03 0.97 3.72 1.92 0.74 4.47 2.67 0.89 4.94 3.14 0.99 4.45 2.65 0.89 3.57 1.77 0.71 4.95 3.15 0.99 3.79 1.99 0.76 3.10 1.30 0.62 4.74 2.94 0.95 4.44 2.64 0.89 4.84 3.04 0.97 4.67 2.87 0.93 4.22 2.42 0.84 4.55 2.75 0.91 3.29 1.49 0.66 4.92 3.12 0.98 5.14 3.34 1.03 3.85 2.05 0.77 4.08 2.28 0.82 3.87 2.07 0.77 3.52 1.72 0.70 4.41 2.61 0.88 4.92 3.12 0.98 3.20 1.40 0.64 3.14 1.34 0.63 3.50 1.70 0.70 4.09 2.29 0.82 4.15 2.35 0.83 5.67 3.87 1.13 4.67 2.87 0.93 4.04 2.24 0.81 4.53 2.73 0.91 4.55 2.75 0.91 3.75 1.95 0.75 4.60 2.80 0.92 4.83 3.03 0.97 4.17 2.37 0.83 3.80 2.00 0.76 4.14 2.34 0.83 4.11 2.31 0.82 4.66 2.86 0.93 3.19 1.39 0.64 4.30 2.50 0.86 4.89 3.09 0.98 5.14 3.34 1.03 4.70 2.90 0.94 4.55 2.75 0.91 4.04 2.24 0.81 4.33 2.53 0.87 3.63 1.83 0.73 4.07 2.27 0.81 4.24 2.44 0.85 4.75 2.95 0.95 3.52 1.72 0.70 4.42 2.62 0.88 4.88 3.08 0.98 5.26 3.46 1.05 4.39 2.59 0.88 3.84 2.04 0.77 4.37 2.57 0.87 5.01 3.21 1.00 3.33 1.53 0.67 4.67 2.87 0.93 3.46 1.66 0.69 3.69 1.89 0.74 4.87 3.07 0.97 5.14 3.34 1.03 4.74 2.94 0.95 5.82 4.02 1.16 4.20 2.40 0.84 4.13 2.33 0.83 5.32 3.52 1.06 3.93 2.13 0.79 4.76 2.96 0.95 4.45 2.65 0.89 4.76 2.96 0.95 4.15 2.35 0.83 4.67 2.87 0.93 4.15 2.35 0.83 4.67 2.87 0.93 4.41 2.61 0.88 3.22 1.42 0.64 3.21 1.41 0.64 3.83 2.03 0.77 4.33 2.53 0.87 4.67 2.87 0.93 4.45 2.65 0.89 4.43 2.63 0.89 5.85 4.05 1.17 3.33 1.53 0.67 3.75 1.95 0.75 4.25 2.45 0.85 3.68 1.88 0.74 4.45 2.65 0.89 3.52 1.72 0.70 3.86 2.06 0.77 5.07 3.27 1.01 3.34 1.54 0.67 4.74 2.94 0.95 3.38 1.58 0.68 4.70 2.90 0.94 4.70 2.90 0.94 4.79 2.99 0.96 5.40 3.60 1.08 4.04 2.24 0.81 4.66 2.86 0.93 4.40 2.60 0.88 4.40 2.60 0.88 3.70 1.90 0.74 4.52 2.72 0.90 5.44 3.64 1.09 3.78 1.98 0.76 4.55 2.75 0.91 4.62 2.82 0.92 5.37 3.57 1.07 4.81 3.01 0.96 4.67 2.87 0.93 6.18 4.38 1.24 6.18 4.38 1.24 4.48 2.68 0.90 5.11 3.31 1.02 4.06 2.26 0.81 3.69 1.89 0.74 4.31 2.51 0.86 3.80 2.00 0.76 3.70 1.90 0.74 4.29 2.49 0.86 4.29 2.49 0.86 3.20 1.40 0.64 4.67 2.87 0.93 4.67 2.87 0.93 4.59 2.79 0.92 4.59 2.79 0.92 4.51 2.71 0.90 4.02 2.22 0.80 3.61 1.81 0.72 4.56 2.76 0.91 4.96 3.16 0.99 4.49 2.69 0.90 3.14 1.34 0.63 5.23 3.43 1.05 3.76 1.96 0.75 4.77 2.97 0.95 2.76 0.96 0.55 4.90 3.10 0.98 5.12 3.32 1.02 5.34 3.54 1.07 3.16 1.36 0.63 3.09 1.29 0.62 4.18 2.38 0.84 4.28 2.48 0.86 3.71 1.91 0.74 4.08 2.28 0.82 5.13 3.33 1.03 4.08 2.28 0.82 3.36 1.56 0.67 5.19 3.39 1.04 4.67 2.87 0.93 3.09 1.29 0.62 4.64 2.84 0.93 4.38 2.58 0.88 3.93 2.13 0.79 4.75 2.95 0.95 3.35 1.55 0.67 4.32 2.52 0.86 4.32 2.52 0.86 5.16 3.36 1.03 5.11 3.31 1.02 6.04 4.24 1.21 4.41 2.61 0.88 4.40 2.60 0.88 4.50 2.70 0.90 5.68 3.88 1.14 4.82 3.02 0.96 4.34 2.54 0.87 4.50 2.70 0.90 4.69 2.89 0.94 5.35 3.55 1.07 3.80 2.00 0.76 3.89 2.09 0.78 5.86 4.06 1.17 3.65 1.85 0.73 4.42 2.62 0.88 4.08 2.28 0.82 5.11 3.31 1.02 3.05 1.25 0.61 3.93 2.13 0.79 4.25 2.45 0.85 4.89 3.09 0.98 4.62 2.82 0.92 5.04 3.24 1.01 4.43 2.63 0.89 5.44 3.64 1.09 3.52 1.72 0.70 3.55 1.75 0.71 4.35 2.55 0.87 4.40 2.60 0.88 3.18 1.38 0.64 3.58 1.78 0.72 3.88 2.08 0.78 4.06 2.26 0.81 3.30 1.50 0.66 4.04 2.24 0.81 3.50 1.70 0.70 4.83 3.03 0.97 3.12 1.32 0.62 4.56 2.76 0.91 4.57 2.77 0.91 4.68 2.88 0.94 3.92 2.12 0.78 4.79 2.99 0.96 4.05 2.25 0.81 5.21 3.41 1.04 5.06 3.26 1.01 4.55 2.75 0.91 3.29 1.49 0.66 4.76 2.96 0.95 3.96 2.16 0.79 4.52 2.72 0.90 4.63 2.83 0.93 4.63 2.83 0.93 3.18 1.38 0.64 4.69 2.89 0.94 5.20 3.40 1.04 4.43 2.63 0.89 5.01 3.21 1.00 5.01 3.21 1.00 3.55 1.75 0.71 4.88 3.08 0.98 4.18 2.38 0.84 4.50 2.70 0.90 4.67 2.87 0.93 4.71 2.91 0.94 4.11 2.31 0.82 4.90 3.10 0.98 4.19 2.39 0.84 4.19 2.39 0.84 4.34 2.54 0.87 4.26 2.46 0.85 4.23 2.43 0.85 4.23 2.43 0.85 3.69 1.89 0.74 4.66 2.86 0.93 4.11 2.31 0.82 4.49 2.69 0.90 3.98 2.18 0.80 4.40 2.60 0.88 4.63 2.83 0.93 4.40 2.60 0.88 4.63 2.83 0.93 4.74 2.94 0.95 4.38 2.58 0.88 4.65 2.85 0.93 4.33 2.53 0.87 3.64 1.84 0.73 3.71 1.91 0.74 3.93 2.13 0.79 5.39 3.59 1.08 3.85 2.05 0.77 4.96 3.16 0.99 4.79 2.99 0.96 4.47 2.67 0.89 4.84 3.04 0.97 4.66 2.86 0.93 3.72 1.92 0.74 4.83 3.03 0.97 4.83 3.03 0.97 4.54 2.74 0.91 3.15 1.35 0.63 4.26 2.46 0.85 5.22 3.42 1.04 4.37 2.57 0.87 4.58 2.78 0.92 3.63 1.83 0.73 3.57 1.77 0.71 4.84 3.04 0.97 4.01 2.21 0.80 4.71 2.91 0.94 4.81 3.01 0.96 4.55 2.75 0.91 3.30 1.50 0.66 4.56 2.76 0.91 4.80 3.00 0.96 4.36 2.56 0.87 3.72 1.92 0.74 4.95 3.15 0.99 4.13 2.33 0.83 3.52 1.72 0.70 4.50 2.70 0.90 4.54 2.74 0.91 4.44 2.64 0.89 4.08 2.28 0.82 4.77 2.97 0.95 3.27 1.47 0.65 4.56 2.76 0.91 4.71 2.91 0.94 5.45 3.65 1.09 3.31 1.51 0.66 4.85 3.05 0.97 5.03 3.23 1.01 4.21 2.41 0.84 3.65 1.85 0.73 3.29 1.49 0.66 3.89 2.09 0.78 5.89 4.09 1.18 4.64 2.84 0.93 5.50 3.70 1.10 4.68 2.88 0.94 3.44 1.64 0.69 4.90 3.10 0.98 3.25 1.45 0.65 3.74 1.94 0.75 4.53 2.73 0.91 4.66 2.86 0.93 3.98 2.18 0.80 4.66 2.86 0.93 3.54 1.74 0.71 4.55 2.75 0.91 4.12 2.32 0.82 6.50 4.70 1.30 3.23 1.43 0.65 4.48 2.68 0.90 3.73 1.93 0.75 4.37 2.57 0.87 4.89 3.09 0.98 3.68 1.88 0.74 4.03 2.23 0.81 3.43 1.63 0.69 3.77 1.97 0.75 4.13 2.33 0.83 4.81 3.01 0.96 4.81 3.01 0.96 4.82 3.02 0.96 3.76 1.96 0.75 3.08 1.28 0.62 5.17 3.37 1.03 3.28 1.48 0.66 5.15 3.35 1.03 3.25 1.45 0.65 2.86 1.06 0.57 4.17 2.37 0.83 4.54 2.74 0.91 2.99 1.19 0.60 4.98 3.18 1.00 2.99 1.19 0.60 3.24 1.44 0.65 4.59 2.79 0.92 4.73 2.93 0.95 4.16 2.36 0.83 3.30 1.50 0.66 4.63 2.83 0.93 4.51 2.71 0.90 3.12 1.32 0.62 5.26 3.46 1.05 3.06 1.26 0.61 4.26 2.46 0.85 4.26 2.46 0.85 4.26 2.46 0.85 5.21 3.41 1.04 5.45 3.65 1.09 4.38 2.58 0.88 5.97 4.17 1.19 4.93 3.13 0.99 4.49 2.69 0.90 4.71 2.91 0.94 5.42 3.62 1.08 4.86 3.06 0.97 3.15 1.35 0.63 4.08 2.28 0.82 3.73 1.93 0.75 4.68 2.88 0.94 4.31 2.51 0.86 4.38 2.58 0.88 4.79 2.99 0.96 3.92 2.12 0.78 4.50 2.70 0.90 2.81 1.01 0.56 3.52 1.72 0.70 4.64 2.84 0.93 3.33 1.53 0.67 4.80 3.00 0.96 4.60 2.80 0.92 3.54 1.74 0.71 4.16 2.36 0.83 3.02 1.22 0.60 4.59 2.79 0.92 4.63 2.83 0.93 3.16 1.36 0.63 4.03 2.23 0.81 3.95 2.15 0.79 4.24 2.44 0.85 3.99 2.19 0.80 3.69 1.89 0.74 3.57 1.77 0.71 3.57 1.77 0.71 3.09 1.29 0.62 3.32 1.52 0.66 4.17 2.37 0.83 4.58 2.78 0.92 5.04 3.24 1.01 4.72 2.92 0.94 5.06 3.26 1.01 4.26 2.46 0.85 4.15 2.35 0.83 5.05 3.25 1.01 5.49 3.69 1.10 4.98 3.18 1.00 5.75 3.95 1.15 6.50 4.70 1.30 5.84 4.04 1.17 6.02 4.22 1.20 5.94 4.14 1.19 5.03 3.23 1.01 5.42 3.62 1.08 5.93 4.13 1.19 4.11 2.31 0.82 6.14 4.34 1.23 6.44 4.64 1.29 4.98 3.18 1.00 4.52 2.72 0.90 4.85 3.05 0.97 4.26 2.46 0.85 5.07 3.27 1.01 5.32 3.52 1.06 4.72 2.92 0.94 4.72 2.92 0.94 5.33 3.53 1.07 6.15 4.35 1.23 6.50 4.70 1.30 3.76 1.96 0.75 4.72 2.92 0.94 4.40 2.60 0.88 4.29 2.49 0.86 4.47 2.67 0.89 5.82 4.02 1.16 6.50 4.70 1.30 4.65 2.85 0.93 5.07 3.27 1.01 5.07 3.27 1.01 4.83 3.03 0.97 5.09 3.29 1.02 4.99 3.19 1.00 3.60 1.80 0.72 4.82 3.02 0.96 4.82 3.02 0.96 5.76 3.96 1.15 5.76 3.96 1.15 4.63 2.83 0.93 4.47 2.67 0.89 6.36 4.56 1.27 5.04 3.24 1.01 3.56 1.76 0.71 3.81 2.01 0.76 5.56 3.76 1.11 5.15 3.35 1.03 4.36 2.56 0.87 3.67 1.87 0.73 5.00 3.20 1.00 5.23 3.43 1.05 4.67 2.87 0.93 4.92 3.12 0.98 5.06 3.26 1.01 4.65 2.85 0.93 4.25 2.45 0.85 5.03 3.23 1.01 4.90 3.10 0.98 4.93 3.13 0.99 4.51 2.71 0.90 5.06 3.26 1.01 4.44 2.64 0.89 4.98 3.18 1.00 4.83 3.03 0.97 3.56 1.76 0.71 5.26 3.46 1.05 5.46 3.66 1.09 5.50 3.70 1.10 5.46 3.66 1.09 6.16 4.36 1.23 6.16 4.36 1.23 5.61 3.81 1.12 5.61 3.81 1.12 3.74 1.94 0.75 5.15 3.35 1.03 3.95 2.15 0.79 4.54 2.74 0.91 5.35 3.55 1.07 6.50 4.70 1.30 5.35 3.55 1.07 5.02 3.22 1.00 5.01 3.21 1.00 6.50 4.70 1.30 6.50 4.70 1.30 6.50 4.70 1.30 6.24 4.44 1.25 6.46 4.66 1.29 3.24 1.44 0.65 5.69 3.89 1.14 3.58 1.78 0.72 3.94 2.14 0.79 3.36 1.56 0.67 4.81 3.01 0.96 6.50 4.70 1.30 3.88 2.08 0.78 5.20 3.40 1.04 5.46 3.66 1.09 6.09 4.29 1.22 6.09 4.29 1.22 3.33 1.53 0.67 4.29 2.49 0.86 4.08 2.28 0.82 4.08 2.28 0.82 5.10 3.30 1.02 5.51 3.71 1.10 5.33 3.53 1.07 5.33 3.53 1.07 4.63 2.83 0.93 5.61 3.81 1.12 5.69 3.89 1.14 5.13 3.33 1.03 4.70 2.90 0.94 5.07 3.27 1.01 4.60 2.80 0.92 4.25 2.45 0.85 3.00 1.20 0.60 2.93 1.13 0.59 5.41 3.61 1.08 5.41 3.61 1.08 3.68 1.88 0.74 3.22 1.42 0.64 3.61 1.81 0.72 4.88 3.08 0.98 4.90 3.10 0.98 3.68 1.88 0.74 3.52 1.72 0.70 4.98 3.18 1.00 4.59 2.79 0.92 4.33 2.53 0.87 4.42 2.62 0.88 5.95 4.15 1.19 5.45 3.65 1.09 5.41 3.61 1.08 4.31 2.51 0.86 4.90 3.10 0.98 6.50 4.70 1.30 3.99 2.19 0.80 5.43 3.63 1.09 3.58 1.78 0.72 3.32 1.52 0.66 5.98 4.18 1.20 5.07 3.27 1.01 4.25 2.45 0.85 2.58 0.78 0.52 2.77 0.97 0.55 2.95 1.15 0.59 3.28 1.48 0.66 2.97 1.17 0.59 3.61 1.81 0.72 3.17 1.37 0.63 3.09 1.29 0.62 4.08 2.28 0.82 4.05 2.25 0.81 3.24 1.44 0.65 3.32 1.52 0.66 4.83 3.03 0.97 4.47 2.67 0.89 5.02 3.22 1.00 4.65 2.85 0.93 4.71 2.91 0.94 4.71 2.91 0.94 5.89 4.09 1.18 4.22 2.42 0.84 5.01 3.21 1.00 5.01 3.21 1.00 4.95 3.15 0.99 4.95 3.15 0.99 4.49 2.69 0.90 5.97 4.17 1.19 6.50 4.70 1.30 5.47 3.67 1.09 5.28 3.48 1.06 4.14 2.34 0.83 3.09 1.29 0.62 4.35 2.55 0.87 5.81 4.01 1.16 5.72 3.92 1.14 4.87 3.07 0.97 4.87 3.07 0.97 5.23 3.43 1.05 4.32 2.52 0.86 4.32 2.52 0.86 6.47 4.67 1.29 4.17 2.37 0.83 4.36 2.56 0.87 4.37 2.57 0.87 5.08 3.28 1.02 3.97 2.17 0.79 5.41 3.61 1.08 3.13 1.33 0.63 5.15 3.35 1.03 4.75 2.95 0.95 5.09 3.29 1.02 4.13 2.33 0.83 5.81 4.01 1.16 6.50 4.70 1.30 4.08 2.28 0.82 3.49 1.69 0.70 4.06 2.26 0.81 5.19 3.39 1.04 5.19 3.39 1.04 3.61 1.81 0.72 3.97 2.17 0.79 2.74 0.94 0.55 4.36 2.56 0.87 3.33 1.53 0.67 4.35 2.55 0.87 3.72 1.92 0.74 3.73 1.93 0.75 4.40 2.60 0.88 3.37 1.57 0.67 4.16 2.36 0.83 3.98 2.18 0.80 4.45 2.65 0.89 4.27 2.47 0.85 4.27 2.47 0.85 4.12 2.32 0.82 3.62 1.82 0.72 4.55 2.75 0.91 3.99 2.19 0.80 4.09 2.29 0.82 3.87 2.07 0.77 3.41 1.61 0.68 4.07 2.27 0.81 3.36 1.56 0.67 5.40 3.60 1.08 5.40 3.60 1.08 4.17 2.37 0.83 3.46 1.66 0.69 5.87 4.07 1.17 4.75 2.95 0.95 3.58 1.78 0.72 3.88 2.08 0.78 2.87 1.07 0.57 4.41 2.61 0.88 4.60 2.80 0.92 3.62 1.82 0.72 4.89 3.09 0.98 4.86 3.06 0.97 4.09 2.29 0.82 4.87 3.07 0.97 3.72 1.92 0.74 4.17 2.37 0.83 4.94 3.14 0.99 4.16 2.36 0.83 4.76 2.96 0.95 4.75 2.95 0.95 4.00 2.20 0.80 4.20 2.40 0.84 5.67 3.87 1.13 5.84 4.04 1.17 3.62 1.82 0.72 4.54 2.74 0.91 3.62 1.82 0.72 4.04 2.24 0.81 4.16 2.36 0.83 3.31 1.51 0.66 3.33 1.53 0.67 3.61 1.81 0.72 5.61 3.81 1.12 4.13 2.33 0.83 4.62 2.82 0.92 4.62 2.82 0.92 3.51 1.71 0.70 3.71 1.91 0.74 3.79 1.99 0.76 3.79 1.99 0.76 4.62 2.82 0.92 5.30 3.50 1.06 5.63 3.83 1.13 3.81 2.01 0.76 4.16 2.36 0.83 4.50 2.70 0.90 4.50 2.70 0.90 4.31 2.51 0.86 3.09 1.29 0.62 3.81 2.01 0.76 5.64 3.84 1.13 5.24 3.44 1.05 5.24 3.44 1.05 4.49 2.69 0.90 4.71 2.91 0.94 3.75 1.95 0.75 5.05 3.25 1.01 5.05 3.25 1.01 5.17 3.37 1.03 5.17 3.37 1.03 5.65 3.85 1.13 5.65 3.85 1.13 4.30 2.50 0.86 4.68 2.88 0.94 4.38 2.58 0.88 5.20 3.40 1.04 5.20 3.40 1.04 3.76 1.96 0.75 4.37 2.57 0.87 5.45 3.65 1.09 5.45 3.65 1.09 3.58 1.78 0.72 5.05 3.25 1.01 4.66 2.86 0.93 4.33 2.53 0.87 3.43 1.63 0.69 4.34 2.54 0.87 5.39 3.59 1.08 5.60 3.80 1.12 4.96 3.16 0.99 3.76 1.96 0.75 4.98 3.18 1.00 4.64 2.84 0.93 3.93 2.13 0.79 3.69 1.89 0.74 3.98 2.18 0.80 4.21 2.41 0.84 3.58 1.78 0.72 3.96 2.16 0.79 3.95 2.15 0.79 4.67 2.87 0.93 5.23 3.43 1.05 4.78 2.98 0.96 3.77 1.97 0.75 3.35 1.55 0.67 4.63 2.83 0.93 5.29 3.49 1.06 5.00 3.20 1.00 5.12 3.32 1.02 4.21 2.41 0.84 5.49 3.69 1.10 5.49 3.69 1.10 3.81 2.01 0.76 4.33 2.53 0.87 4.55 2.75 0.91 4.52 2.72 0.90 4.73 2.93 0.95 5.12 3.32 1.02 5.29 3.49 1.06 4.84 3.04 0.97 4.50 2.70 0.90 4.70 2.90 0.94 3.88 2.08 0.78 4.64 2.84 0.93 4.90 3.10 0.98 4.90 3.10 0.98 4.80 3.00 0.96 5.40 3.60 1.08 5.15 3.35 1.03 5.40 3.60 1.08 4.38 2.58 0.88 3.30 1.50 0.66 3.30 1.50 0.66 3.25 1.45 0.65 6.50 4.70 1.30 4.24 2.44 0.85 4.70 2.90 0.94 4.32 2.52 0.86 3.88 2.08 0.78 4.37 2.57 0.87 3.04 1.24 0.61 5.11 3.31 1.02 4.34 2.54 0.87 3.53 1.73 0.71 4.28 2.48 0.86 3.57 1.77 0.71 4.92 3.12 0.98 4.71 2.91 0.94 4.22 2.42 0.84 4.48 2.68 0.90 4.69 2.89 0.94 3.47 1.67 0.69 4.12 2.32 0.82 4.21 2.41 0.84 3.84 2.04 0.77 3.96 2.16 0.79 3.62 1.82 0.72 4.06 2.26 0.81 5.98 4.18 1.20 5.21 3.41 1.04 5.87 4.07 1.17 6.50 4.70 1.30 2.93 1.13 0.59 4.49 2.69 0.90 4.33 2.53 0.87 3.22 1.42 0.64 3.27 1.47 0.65 4.82 3.02 0.96 4.56 2.76 0.91 3.23 1.43 0.65 4.00 2.20 0.80 4.19 2.39 0.84 3.84 2.04 0.77 3.98 2.18 0.80 4.99 3.19 1.00 3.94 2.14 0.79 3.92 2.12 0.78 3.70 1.90 0.74 4.06 2.26 0.81 4.30 2.50 0.86 4.07 2.27 0.81 4.18 2.38 0.84 4.80 3.00 0.96 3.22 1.42 0.64 3.42 1.62 0.68 4.68 2.88 0.94 4.17 2.37 0.83 4.30 2.50 0.86 4.95 3.15 0.99 5.12 3.32 1.02 4.35 2.55 0.87 4.54 2.74 0.91 3.57 1.77 0.71 3.89 2.09 0.78 3.15 1.35 0.63 3.36 1.56 0.67 4.08 2.28 0.82 2.72 0.92 0.54 3.11 1.31 0.62 3.88 2.08 0.78 3.95 2.15 0.79 3.97 2.17 0.79 3.27 1.47 0.65 4.67 2.87 0.93 3.52 1.72 0.70 3.17 1.37 0.63 3.17 1.37 0.63 4.11 2.31 0.82 2.70 0.90 0.54 4.11 2.31 0.82 5.30 3.50 1.06 4.53 2.73 0.91 4.27 2.47 0.85 4.27 2.47 0.85 4.09 2.29 0.82 3.87 2.07 0.77 4.48 2.68 0.90 6.50 4.70 1.30 4.19 2.39 0.84 6.16 4.36 1.23 6.16 4.36 1.23 4.96 3.16 0.99 3.71 1.91 0.74 6.50 4.70 1.30 4.19 2.39 0.84 6.50 4.70 1.30 4.42 2.62 0.88 3.75 1.95 0.75 5.65 3.85 1.13 4.81 3.01 0.96 3.78 1.98 0.76 3.45 1.65 0.69 3.66 1.86 0.73 3.43 1.63 0.69 4.64 2.84 0.93 4.80 3.00 0.96 5.14 3.34 1.03 5.14 3.34 1.03 4.60 2.80 0.92 4.98 3.18 1.00 4.06 2.26 0.81 3.92 2.12 0.78 4.71 2.91 0.94 5.23 3.43 1.05 3.83 2.03 0.77 3.79 1.99 0.76 4.27 2.47 0.85 4.30 2.50 0.86 3.54 1.74 0.71 4.47 2.67 0.89 5.79 3.99 1.16 3.64 1.84 0.73 3.75 1.95 0.75 4.65 2.85 0.93 4.64 2.84 0.93 4.30 2.50 0.86 4.04 2.24 0.81 4.11 2.31 0.82 3.50 1.70 0.70 3.98 2.18 0.80 3.19 1.39 0.64 2.98 1.18 0.60 3.62 1.82 0.72 3.81 2.01 0.76 4.72 2.92 0.94 3.72 1.92 0.74 4.40 2.60 0.88 4.95 3.15 0.99 4.15 2.35 0.83 4.79 2.99 0.96 4.26 2.46 0.85 4.30 2.50 0.86 4.39 2.59 0.88 4.79 2.99 0.96 4.46 2.66 0.89 3.06 1.26 0.61 4.83 3.03 0.97 5.03 3.23 1.01 3.38 1.58 0.68 5.04 3.24 1.01 5.04 3.24 1.01 3.96 2.16 0.79 4.32 2.52 0.86 5.39 3.59 1.08 4.97 3.17 0.99 3.86 2.06 0.77 3.57 1.77 0.71 4.36 2.56 0.87 4.99 3.19 1.00 5.17 3.37 1.03 4.15 2.35 0.83 5.14 3.34 1.03 5.14 3.34 1.03 3.98 2.18 0.80 3.98 2.18 0.80 5.26 3.46 1.05 5.26 3.46 1.05 3.98 2.18 0.80 4.03 2.23 0.81 3.87 2.07 0.77 3.42 1.62 0.68 3.46 1.66 0.69 3.94 2.14 0.79 4.38 2.58 0.88 4.86 3.06 0.97 3.27 1.47 0.65 4.43 2.63 0.89 4.58 2.78 0.92 3.18 1.38 0.64 3.79 1.99 0.76 4.18 2.38 0.84 4.18 2.38 0.84 5.65 3.85 1.13 4.32 2.52 0.86 4.71 2.91 0.94 5.37 3.57 1.07 4.91 3.11 0.98 4.02 2.22 0.80 3.81 2.01 0.76 4.23 2.43 0.85 4.17 2.37 0.83 4.75 2.95 0.95 4.00 2.20 0.80 4.02 2.22 0.80 3.03 1.23 0.61 5.59 3.79 1.12 3.01 1.21 0.60 4.71 2.91 0.94 5.35 3.55 1.07 3.28 1.48 0.66 4.90 3.10 0.98 4.63 2.83 0.93 5.21 3.41 1.04 3.37 1.57 0.67 3.80 2.00 0.76 3.51 1.71 0.70 3.53 1.73 0.71 3.02 1.22 0.60 5.57 3.77 1.11 6.41 4.61 1.28 6.10 4.30 1.22 3.34 1.54 0.67 2.80 1.00 0.56 4.14 2.34 0.83 3.80 2.00 0.76 4.88 3.08 0.98 5.33 3.53 1.07 4.13 2.33 0.83 5.14 3.34 1.03 5.14 3.34 1.03 4.38 2.58 0.88 4.58 2.78 0.92 5.00 3.20 1.00 5.00 3.20 1.00 4.48 2.68 0.90 3.07 1.27 0.61 4.20 2.40 0.84 5.80 4.00 1.16 5.03 3.23 1.01 5.03 3.23 1.01 2.84 1.04 0.57 4.40 2.60 0.88 3.41 1.61 0.68 3.69 1.89 0.74 4.77 2.97 0.95 4.99 3.19 1.00 4.15 2.35 0.83 4.49 2.69 0.90 4.11 2.31 0.82 4.49 2.69 0.90 4.31 2.51 0.86 5.47 3.67 1.09 4.63 2.83 0.93 5.11 3.31 1.02 4.62 2.82 0.92 4.29 2.49 0.86 4.60 2.80 0.92 4.69 2.89 0.94 4.63 2.83 0.93 5.80 4.00 1.16 5.11 3.31 1.02 4.44 2.64 0.89 4.04 2.24 0.81 4.35 2.55 0.87 4.56 2.76 0.91 3.66 1.86 0.73 2.86 1.06 0.57 3.17 1.37 0.63 3.61 1.81 0.72 2.92 1.12 0.58 4.52 2.72 0.90 4.93 3.13 0.99 4.54 2.74 0.91 4.52 2.72 0.90 3.08 1.28 0.62 4.26 2.46 0.85 4.34 2.54 0.87 5.10 3.30 1.02 5.32 3.52 1.06 4.73 2.93 0.95 4.37 2.57 0.87 4.63 2.83 0.93 4.12 2.32 0.82 3.60 1.80 0.72 3.55 1.75 0.71 3.51 1.71 0.70 4.07 2.27 0.81 4.13 2.33 0.83 4.03 2.23 0.81 4.69 2.89 0.94 4.92 3.12 0.98 4.79 2.99 0.96 3.44 1.64 0.69 5.56 3.76 1.11 5.95 4.15 1.19 4.69 2.89 0.94 2.80 1.00 0.56 2.99 1.19 0.60 4.49 2.69 0.90 4.75 2.95 0.95 4.71 2.91 0.94 4.71 2.91 0.94 4.74 2.94 0.95 4.74 2.94 0.95 4.14 2.34 0.83 3.95 2.15 0.79 3.60 1.80 0.72 3.24 1.44 0.65 3.62 1.82 0.72 3.67 1.87 0.73 4.59 2.79 0.92 4.31 2.51 0.86 4.31 2.51 0.86 2.53 0.73 0.51 2.78 0.98 0.56 4.86 3.06 0.97 3.36 1.56 0.67 4.55 2.75 0.91 3.90 2.10 0.78 3.77 1.97 0.75 4.70 2.90 0.94 4.70 2.90 0.94 4.72 2.92 0.94 4.83 3.03 0.97 4.51 2.71 0.90 3.95 2.15 0.79 3.95 2.15 0.79 5.70 3.90 1.14 5.70 3.90 1.14 4.45 2.65 0.89 6.50 4.70 1.30 5.23 3.43 1.05 4.13 2.33 0.83 4.98 3.18 1.00 4.98 3.18 1.00 3.56 1.76 0.71 5.76 3.96 1.15 3.28 1.48 0.66 3.62 1.82 0.72 3.60 1.80 0.72 4.20 2.40 0.84 4.38 2.58 0.88 4.55 2.75 0.91 3.90 2.10 0.78 4.41 2.61 0.88 4.22 2.42 0.84 5.12 3.32 1.02 3.18 1.38 0.64 3.98 2.18 0.80 3.67 1.87 0.73 3.38 1.58 0.68 4.78 2.98 0.96 4.53 2.73 0.91 3.73 1.93 0.75 4.48 2.68 0.90 5.14 3.34 1.03 4.58 2.78 0.92 4.22 2.42 0.84 4.21 2.41 0.84 3.92 2.12 0.78 3.98 2.18 0.80 3.15 1.35 0.63 4.80 3.00 0.96 3.84 2.04 0.77 3.84 2.04 0.77 3.99 2.19 0.80 3.23 1.43 0.65 3.23 1.43 0.65 4.13 2.33 0.83 4.30 2.50 0.86 4.07 2.27 0.81 3.77 1.97 0.75 4.13 2.33 0.83 4.13 2.33 0.83 4.90 3.10 0.98 4.95 3.15 0.99 4.49 2.69 0.90 5.76 3.96 1.15 4.27 2.47 0.85 5.16 3.36 1.03 4.74 2.94 0.95 5.45 3.65 1.09 4.35 2.55 0.87 4.48 2.68 0.90 4.67 2.87 0.93 5.07 3.27 1.01 5.34 3.54 1.07 3.30 1.50 0.66 2.95 1.15 0.59 2.45 0.65 0.49 4.49 2.69 0.90 4.22 2.42 0.84 4.13 2.33 0.83 3.33 1.53 0.67 4.00 2.20 0.80 3.46 1.66 0.69 3.96 2.16 0.79 3.88 2.08 0.78 3.32 1.52 0.66 5.65 3.85 1.13 4.20 2.40 0.84 4.03 2.23 0.81 4.38 2.58 0.88 4.33 2.53 0.87 3.67 1.87 0.73 4.16 2.36 0.83 2.97 1.17 0.59 4.83 3.03 0.97 4.26 2.46 0.85 6.50 4.70 1.30 6.50 4.70 1.30 6.50 4.70 1.30 6.50 4.70 1.30 3.66 1.86 0.73 4.54 2.74 0.91 4.17 2.37 0.83 4.72 2.92 0.94 5.61 3.81 1.12 4.01 2.21 0.80 4.60 2.80 0.92 2.84 1.04 0.57 4.38 2.58 0.88 4.30 2.50 0.86 4.83 3.03 0.97 3.44 1.64 0.69 3.70 1.90 0.74 5.31 3.51 1.06 5.31 3.51 1.06 4.42 2.62 0.88 4.83 3.03 0.97 4.47 2.67 0.89 4.20 2.40 0.84 4.01 2.21 0.80 4.54 2.74 0.91 5.15 3.35 1.03 5.16 3.36 1.03 5.72 3.92 1.14 4.26 2.46 0.85 4.91 3.11 0.98 5.16 3.36 1.03 4.63 2.83 0.93 4.59 2.79 0.92 4.14 2.34 0.83 4.47 2.67 0.89 4.47 2.67 0.89 5.04 3.24 1.01 5.08 3.28 1.02 4.06 2.26 0.81 4.24 2.44 0.85 4.07 2.27 0.81 5.40 3.60 1.08 5.40 3.60 1.08 5.70 3.90 1.14 5.70 3.90 1.14 3.99 2.19 0.80 5.07 3.27 1.01 5.32 3.52 1.06 2.80 1.00 0.56 4.00 2.20 0.80 4.55 2.75 0.91 4.09 2.29 0.82 3.81 2.01 0.76 4.08 2.28 0.82 4.40 2.60 0.88 4.04 2.24 0.81 4.31 2.51 0.86 4.25 2.45 0.85 5.15 3.35 1.03 5.40 3.60 1.08 4.76 2.96 0.95 4.69 2.89 0.94 4.69 2.89 0.94 4.64 2.84 0.93 4.92 3.12 0.98 4.98 3.18 1.00 4.66 2.86 0.93 4.56 2.76 0.91 4.82 3.02 0.96 4.91 3.11 0.98 4.88 3.08 0.98 5.16 3.36 1.03 4.97 3.17 0.99 4.55 2.75 0.91 4.82 3.02 0.96 5.43 3.63 1.09 5.61 3.81 1.12 5.16 3.36 1.03 5.44 3.64 1.09 4.69 2.89 0.94 5.54 3.74 1.11 5.54 3.74 1.11 6.12 4.32 1.22 6.12 4.32 1.22 3.76 1.96 0.75 5.71 3.91 1.14 6.07 4.27 1.21 6.50 4.70 1.30 6.19 4.39 1.24 5.62 3.82 1.12 5.17 3.37 1.03 5.17 3.37 1.03 5.28 3.48 1.06 5.28 3.48 1.06 3.05 1.25 0.61 6.50 4.70 1.30 6.50 4.70 1.30 4.56 2.76 0.91 5.06 3.26 1.01 5.06 3.26 1.01 5.00 3.20 1.00 3.31 1.51 0.66 4.63 2.83 0.93 5.00 3.20 1.00 4.67 2.87 0.93 4.67 2.87 0.93 5.90 4.10 1.18 4.84 3.04 0.97 5.33 3.53 1.07 4.97 3.17 0.99 3.80 2.00 0.76 6.50 4.70 1.30 6.50 4.70 1.30 6.50 4.70 1.30 6.50 4.70 1.30 6.50 4.70 1.30 4.58 2.78 0.92 5.20 3.40 1.04 4.11 2.31 0.82 4.54 2.74 0.91 6.50 4.70 1.30 4.98 3.18 1.00 5.76 3.96 1.15 6.45 4.65 1.29 6.02 4.22 1.20 6.50 4.70 1.30 4.38 2.58 0.88 5.52 3.72 1.10 6.50 4.70 1.30 5.85 4.05 1.17 6.50 4.70 1.30 6.50 4.70 1.30 5.02 3.22 1.00 6.50 4.70 1.30 4.21 2.41 0.84 5.77 3.97 1.15 4.84 3.04 0.97 3.92 2.12 0.78 3.51 1.71 0.70 3.19 1.39 0.64 3.64 1.84 0.73 4.11 2.31 0.82 3.89 2.09 0.78 3.82 2.02 0.76 5.03 3.23 1.01 5.03 3.23 1.01 5.64 3.84 1.13 5.64 3.84 1.13 5.12 3.32 1.02 4.57 2.77 0.91 4.90 3.10 0.98 5.93 4.13 1.19 5.07 3.27 1.01 6.50 4.70 1.30 4.91 3.11 0.98 4.83 3.03 0.97 4.36 2.56 0.87 3.37 1.57 0.67 4.86 3.06 0.97 5.45 3.65 1.09 3.91 2.11 0.78 5.84 4.04 1.17 3.60 1.80 0.72 3.71 1.91 0.74 4.25 2.45 0.85 5.02 3.22 1.00 3.97 2.17 0.79 4.17 2.37 0.83 3.97 2.17 0.79 3.29 1.49 0.66 3.67 1.87 0.73 4.17 2.37 0.83 3.86 2.06 0.77 4.66 2.86 0.93 3.73 1.93 0.75 4.57 2.77 0.91 5.25 3.45 1.05 5.13 3.33 1.03 5.01 3.21 1.00 5.42 3.62 1.08 4.39 2.59 0.88 4.68 2.88 0.94 4.93 3.13 0.99 5.05 3.25 1.01 4.53 2.73 0.91 4.57 2.77 0.91 3.91 2.11 0.78 4.25 2.45 0.85 4.94 3.14 0.99 5.46 3.66 1.09 3.79 1.99 0.76 3.11 1.31 0.62 3.90 2.10 0.78 3.05 1.25 0.61 3.31 1.51 0.66 4.58 2.78 0.92 4.58 2.78 0.92 4.11 2.31 0.82 3.56 1.76 0.71 4.95 3.15 0.99 5.25 3.45 1.05 4.63 2.83 0.93 4.75 2.95 0.95 4.50 2.70 0.90 4.99 3.19 1.00 5.17 3.37 1.03 3.74 1.94 0.75 4.23 2.43 0.85 4.61 2.81 0.92 5.22 3.42 1.04 4.03 2.23 0.81 4.16 2.36 0.83 4.54 2.74 0.91 4.76 2.96 0.95 4.98 3.18 1.00 4.29 2.49 0.86 4.73 2.93 0.95 3.98 2.18 0.80 4.20 2.40 0.84 5.48 3.68 1.10 4.32 2.52 0.86 4.55 2.75 0.91 5.01 3.21 1.00 5.71 3.91 1.14 6.11 4.31 1.22 2.82 1.02 0.56 4.03 2.23 0.81 4.11 2.31 0.82 4.19 2.39 0.84 3.86 2.06 0.77 3.64 1.84 0.73 4.98 3.18 1.00 3.98 2.18 0.80 4.24 2.44 0.85 4.20 2.40 0.84 4.46 2.66 0.89 3.61 1.81 0.72 4.57 2.77 0.91 4.96 3.16 0.99 2.96 1.16 0.59 3.86 2.06 0.77 3.46 1.66 0.69 4.89 3.09 0.98 6.12 4.32 1.22 3.17 1.37 0.63 3.54 1.74 0.71 4.10 2.30 0.82 4.65 2.85 0.93 2.45 0.65 0.49 4.44 2.64 0.89 4.29 2.49 0.86 5.12 3.32 1.02 4.83 3.03 0.97 3.09 1.29 0.62 4.51 2.71 0.90 4.21 2.41 0.84 4.39 2.59 0.88 4.87 3.07 0.97 3.54 1.74 0.71 3.16 1.36 0.63 3.60 1.80 0.72 4.72 2.92 0.94 4.14 2.34 0.83 4.57 2.77 0.91 3.03 1.23 0.61 2.96 1.16 0.59 4.05 2.25 0.81 3.41 1.61 0.68 3.53 1.73 0.71 3.71 1.91 0.74 3.29 1.49 0.66 3.23 1.43 0.65 4.27 2.47 0.85 3.64 1.84 0.73 3.75 1.95 0.75 4.53 2.73 0.91 4.09 2.29 0.82 5.29 3.49 1.06 3.32 1.52 0.66 3.35 1.55 0.67 5.69 3.89 1.14 3.81 2.01 0.76 3.41 1.61 0.68 4.16 2.36 0.83 4.21 2.41 0.84 4.59 2.79 0.92 4.23 2.43 0.85 6.02 4.22 1.20 4.79 2.99 0.96 4.58 2.78 0.92 4.02 2.22 0.80 4.27 2.47 0.85 4.61 2.81 0.92 3.80 2.00 0.76 4.70 2.90 0.94 4.14 2.34 0.83 4.38 2.58 0.88 4.78 2.98 0.96 5.95 4.15 1.19 3.19 1.39 0.64 3.81 2.01 0.76 5.48 3.68 1.10 4.23 2.43 0.85 3.19 1.39 0.64 2.83 1.03 0.57 5.70 3.90 1.14 4.04 2.24 0.81 4.24 2.44 0.85 4.42 2.62 0.88 3.25 1.45 0.65 4.78 2.98 0.96 3.10 1.30 0.62 3.34 1.54 0.67 4.45 2.65 0.89 3.82 2.02 0.76 5.97 4.17 1.19 4.32 2.52 0.86 3.95 2.15 0.79 3.78 1.98 0.76 4.58 2.78 0.92 3.96 2.16 0.79 3.88 2.08 0.78 4.67 2.87 0.93 4.61 2.81 0.92 3.73 1.93 0.75 4.17 2.37 0.83 5.42 3.62 1.08 3.89 2.09 0.78 4.06 2.26 0.81 3.68 1.88 0.74 4.41 2.61 0.88 4.68 2.88 0.94 4.38 2.58 0.88 3.52 1.72 0.70 4.21 2.41 0.84 4.97 3.17 0.99 6.07 4.27 1.21 5.15 3.35 1.03 3.82 2.02 0.76 4.22 2.42 0.84 3.86 2.06 0.77 4.70 2.90 0.94 4.55 2.75 0.91 3.10 1.30 0.62 4.78 2.98 0.96 4.52 2.72 0.90 4.58 2.78 0.92 3.45 1.65 0.69 6.07 4.27 1.21 5.34 3.54 1.07 4.62 2.82 0.92 4.28 2.48 0.86 3.82 2.02 0.76 4.73 2.93 0.95 4.19 2.39 0.84 5.90 4.10 1.18 4.03 2.23 0.81 4.03 2.23 0.81 5.36 3.56 1.07 6.12 4.32 1.22 5.06 3.26 1.01 5.09 3.29 1.02 4.50 2.70 0.90 4.56 2.76 0.91 4.42 2.62 0.88 2.99 1.19 0.60 3.27 1.47 0.65 5.25 3.45 1.05 3.56 1.76 0.71 4.22 2.42 0.84 4.92 3.12 0.98 3.61 1.81 0.72 4.93 3.13 0.99 4.05 2.25 0.81 4.41 2.61 0.88 4.10 2.30 0.82 6.27 4.47 1.25 4.24 2.44 0.85 3.18 1.38 0.64 4.44 2.64 0.89 5.23 3.43 1.05 4.40 2.60 0.88 3.90 2.10 0.78 3.14 1.34 0.63 4.28 2.48 0.86 4.44 2.64 0.89 3.32 1.52 0.66 5.99 4.19 1.20 4.36 2.56 0.87 5.39 3.59 1.08 5.38 3.58 1.08 4.09 2.29 0.82 3.43 1.63 0.69 3.85 2.05 0.77 4.35 2.55 0.87 5.40 3.60 1.08 4.45 2.65 0.89 3.85 2.05 0.77 4.84 3.04 0.97 3.48 1.68 0.70 5.06 3.26 1.01 3.24 1.44 0.65 4.03 2.23 0.81 4.01 2.21 0.80 3.71 1.91 0.74 3.61 1.81 0.72 3.77 1.97 0.75 5.78 3.98 1.16 3.46 1.66 0.69 3.75 1.95 0.75 4.04 2.24 0.81 4.61 2.81 0.92 4.05 2.25 0.81 3.48 1.68 0.70 4.25 2.45 0.85 3.78 1.98 0.76 5.73 3.93 1.15 5.60 3.80 1.12 4.79 2.99 0.96 5.79 3.99 1.16 3.65 1.85 0.73 3.47 1.67 0.69 4.73 2.93 0.95 3.53 1.73 0.71 4.24 2.44 0.85 4.29 2.49 0.86 6.27 4.47 1.25 4.72 2.92 0.94 3.89 2.09 0.78 4.50 2.70 0.90 3.46 1.66 0.69 4.32 2.52 0.86 3.01 1.21 0.60 4.45 2.65 0.89 4.61 2.81 0.92 4.10 2.30 0.82 4.39 2.59 0.88 3.99 2.19 0.80 5.30 3.50 1.06 4.02 2.22 0.80 3.28 1.48 0.66 3.93 2.13 0.79 4.89 3.09 0.98 3.31 1.51 0.66 6.15 4.35 1.23 3.73 1.93 0.75 3.13 1.33 0.63 3.86 2.06 0.77 6.03 4.23 1.21 6.27 4.47 1.25 4.84 3.04 0.97 4.41 2.61 0.88 4.50 2.70 0.90 4.02 2.22 0.80 3.90 2.10 0.78 4.51 2.71 0.90 3.62 1.82 0.72 3.13 1.33 0.63 4.29 2.49 0.86 4.32 2.52 0.86 3.32 1.52 0.66 3.54 1.74 0.71 4.90 3.10 0.98 4.39 2.59 0.88 3.65 1.85 0.73 4.29 2.49 0.86 4.21 2.41 0.84 3.63 1.83 0.73 6.27 4.47 1.25 4.45 2.65 0.89 6.40 4.60 1.28 4.53 2.73 0.91 3.94 2.14 0.79 2.90 1.10 0.58 4.80 3.00 0.96 4.43 2.63 0.89 5.56 3.76 1.11 4.14 2.34 0.83 5.21 3.41 1.04 4.19 2.39 0.84 4.82 3.02 0.96 4.66 2.86 0.93 3.10 1.30 0.62 3.40 1.60 0.68 3.98 2.18 0.80 4.38 2.58 0.88 4.46 2.66 0.89 4.35 2.55 0.87 4.12 2.32 0.82 4.89 3.09 0.98 3.69 1.89 0.74 4.90 3.10 0.98 4.30 2.50 0.86 4.56 2.76 0.91 5.15 3.35 1.03 5.40 3.60 1.08 4.12 2.32 0.82 3.26 1.46 0.65 6.03 4.23 1.21 3.65 1.85 0.73 4.97 3.17 0.99 3.98 2.18 0.80 4.96 3.16 0.99 4.56 2.76 0.91 3.37 1.57 0.67 3.67 1.87 0.73 5.28 3.48 1.06 4.99 3.19 1.00 3.31 1.51 0.66 5.13 3.33 1.03 3.52 1.72 0.70 3.63 1.83 0.73 3.44 1.64 0.69 3.85 2.05 0.77 4.85 3.05 0.97 3.54 1.74 0.71 5.63 3.83 1.13 4.32 2.52 0.86 6.40 4.60 1.28 4.51 2.71 0.90 4.39 2.59 0.88 4.99 3.19 1.00 4.43 2.63 0.89 3.98 2.18 0.80 4.14 2.34 0.83 4.30 2.50 0.86 4.20 2.40 0.84 3.74 1.94 0.75 4.04 2.24 0.81 5.82 4.02 1.16 3.77 1.97 0.75 3.76 1.96 0.75 4.38 2.58 0.88 6.27 4.47 1.25 4.02 2.22 0.80 4.09 2.29 0.82 5.25 3.45 1.05 3.00 1.20 0.60 3.92 2.12 0.78 4.91 3.11 0.98 5.42 3.62 1.08 6.40 4.60 1.28 6.27 4.47 1.25 6.40 4.60 1.28 4.07 2.27 0.81 4.38 2.58 0.88 4.76 2.96 0.95 4.66 2.86 0.93 3.23 1.43 0.65 3.41 1.61 0.68 3.63 1.83 0.73 5.18 3.38 1.04 2.93 1.13 0.59 4.21 2.41 0.84 4.42 2.62 0.88 4.83 3.03 0.97 3.34 1.54 0.67 5.50 3.70 1.10 4.35 2.55 0.87 3.09 1.29 0.62 3.96 2.16 0.79 2.38 0.58 0.48 4.91 3.11 0.98 3.50 1.70 0.70 6.09 4.29 1.22 6.40 4.60 1.28 4.15 2.35 0.83 4.95 3.15 0.99 4.74 2.94 0.95 4.89 3.09 0.98 5.11 3.31 1.02 4.09 2.29 0.82 5.86 4.06 1.17 4.77 2.97 0.95 4.38 2.58 0.88 4.26 2.46 0.85 2.53 0.73 0.51 6.27 4.47 1.25 6.27 4.47 1.25 4.97 3.17 0.99 4.03 2.23 0.81 5.29 3.49 1.06 4.03 2.23 0.81 3.54 1.74 0.71 4.82 3.02 0.96 5.31 3.51 1.06 3.76 1.96 0.75 4.69 2.89 0.94 4.60 2.80 0.92 4.80 3.00 0.96 3.41 1.61 0.68 3.93 2.13 0.79 4.20 2.40 0.84 4.77 2.97 0.95 5.12 3.32 1.02 4.46 2.66 0.89 3.72 1.92 0.74 2.85 1.05 0.57 3.88 2.08 0.78 3.63 1.83 0.73 3.93 2.13 0.79 3.44 1.64 0.69 4.15 2.35 0.83 5.88 4.08 1.18 4.49 2.69 0.90 5.70 3.90 1.14 4.41 2.61 0.88 4.04 2.24 0.81 3.19 1.39 0.64 4.27 2.47 0.85 3.41 1.61 0.68 3.54 1.74 0.71 3.85 2.05 0.77 3.58 1.78 0.72 3.90 2.10 0.78 6.09 4.29 1.22 4.07 2.27 0.81 3.48 1.68 0.70 6.14 4.34 1.23 4.41 2.61 0.88 5.88 4.08 1.18 4.08 2.28 0.82 4.21 2.41 0.84 5.68 3.88 1.14 6.04 4.24 1.21 4.75 2.95 0.95 4.64 2.84 0.93 4.23 2.43 0.85 4.55 2.75 0.91 3.10 1.30 0.62 6.27 4.47 1.25 4.10 2.30 0.82 3.37 1.57 0.67 4.68 2.88 0.94 3.48 1.68 0.70 3.19 1.39 0.64 3.77 1.97 0.75 3.94 2.14 0.79 4.30 2.50 0.86 5.33 3.53 1.07 4.06 2.26 0.81 3.41 1.61 0.68 5.77 3.97 1.15 3.73 1.93 0.75 4.82 3.02 0.96 4.67 2.87 0.93 3.31 1.51 0.66 3.52 1.72 0.70 3.00 1.20 0.60 3.14 1.34 0.63 3.45 1.65 0.69 5.90 4.10 1.18 4.52 2.72 0.90 3.41 1.61 0.68 3.69 1.89 0.74 4.48 2.68 0.90 2.92 1.12 0.58 3.66 1.86 0.73 5.08 3.28 1.02 3.98 2.18 0.80 4.69 2.89 0.94 2.62 0.82 0.52 5.27 3.47 1.05 3.47 1.67 0.69 2.91 1.11 0.58 3.24 1.44 0.65 3.22 1.42 0.64 3.87 2.07 0.77 3.43 1.63 0.69 4.02 2.22 0.80 3.97 2.17 0.79 4.99 3.19 1.00 4.96 3.16 0.99 3.41 1.61 0.68 4.37 2.57 0.87 3.66 1.86 0.73 3.49 1.69 0.70 3.57 1.77 0.71 4.57 2.77 0.91 3.77 1.97 0.75 4.11 2.31 0.82 4.35 2.55 0.87 2.83 1.03 0.57 4.41 2.61 0.88 5.55 3.75 1.11 5.55 3.75 1.11 3.74 1.94 0.75 3.74 1.94 0.75 4.56 2.76 0.91 4.88 3.08 0.98 4.31 2.51 0.86 4.63 2.83 0.93 3.54 1.74 0.71 4.01 2.21 0.80 4.69 2.89 0.94 2.98 1.18 0.60 4.31 2.51 0.86 4.64 2.84 0.93

list of removed NOE constraints

    12-> LEU   114 HA   - GLU    115 HN    1.80  4.24 	 # NoRestrctn S [2.00 3.99] -- sequential
    16-> LYS    85 HN   - LYS     85 HB2   1.80  4.32 	 # NoRestrctn I [2.00 4.30] -- intra 
    19-> LEU    84 HN   - LEU     84 HB2   1.80  4.30 	 # NoRestrctn I [2.00 4.30] -- intra 
    33-> GLU     7 HN   - ASP      8 HA    1.80  6.37 	 # NoRestrctn S [2.00 3.99] -- sequential
    36-> GLU    60 HN   - GLU     60 HG2   1.80  6.68 	 # NoRestrctn I [2.35 6.01] -- intra 
    37-> GLU    60 HN   - GLU     60 HG1   1.80  6.68 	 # NoRestrctn I [2.35 6.01] -- intra 
    48-> LEU    88 HN   - LEU     88 HB2   1.80  4.45 	 # NoRestrctn I [2.00 4.30] -- intra 
    56-> GLN    41 HN   - GLN     41 HB1   1.80  4.72 	 # NoRestrctn I [2.00 4.30] -- intra 
    66-> ASN    81 HN   - GLY     82 HA2   1.80  5.80 	 # NoRestrctn S [2.00 3.99] -- sequential
    83-> LYS    80 HN   - ASN     81 HA    1.80  6.48 	 # NoRestrctn S [2.00 3.99] -- sequential
    98-> TYR    70 HN   - TYR     70 HB1   1.80  4.99 	 # NoRestrctn I [2.00 4.30] -- intra 
   113-> ASN    95 HB2  - ASN     95 HD21  1.80  4.85 	 # NoRestrctn I [2.10 3.57] -- intra 
   115-> SER     3 HA   - GLN      4 HN    1.80  4.21 	 # NoRestrctn S [2.00 3.99] -- sequential
   116-> PHE     9 HN   - PHE      9 HB1   1.80  4.37 	 # NoRestrctn I [2.00 4.30] -- intra 
   120-> LEU    18 HN   - LEU     18 HB2   1.80  4.97 	 # NoRestrctn I [2.00 4.30] -- intra 
   129-> LYS    56 HN   - LYS     56 HB2   1.80  4.32 	 # NoRestrctn I [2.00 4.30] -- intra 
   130-> TYR    70 HN   - TYR     70 HB2   1.80  4.99 	 # NoRestrctn I [2.00 4.30] -- intra 
   134-> LEU    86 HN   - LEU     86 HB2   1.80  4.40 	 # NoRestrctn I [2.00 4.30] -- intra 
   138-> LYS   109 HN   - LYS    109 HB2   1.80  4.30 	 # NoRestrctn I [2.00 4.30] -- intra 
   159-> GLN     4 HN   - GLN      4 HB2   1.80  4.82 	 # NoRestrctn I [2.00 4.30] -- intra 
   174-> ASP     8 HN   - ASP      8 HB1   1.80  4.58 	 # NoRestrctn I [2.00 4.30] -- intra 
   178-> PHE     9 HN   - PHE      9 HB2   1.80  4.37 	 # NoRestrctn I [2.00 4.30] -- intra 
   225-> ASN    14 HA   - ASN     15 HN    1.80  4.08 	 # NoRestrctn S [2.00 3.99] -- sequential
   228-> ASN    14 HB2  - ASN     14 HD21  1.80  3.98 	 # NoRestrctn I [2.10 3.57] -- intra 
   229-> ASN    14 HN   - ASN     14 HB1   1.80  4.43 	 # NoRestrctn I [2.00 4.30] -- intra 
   230-> ASN    15 HA   - ILE     16 HN    1.80  4.22 	 # NoRestrctn S [2.00 3.99] -- sequential
   234-> ASN    15 HN   - ILE     16 HA    1.80  5.77 	 # NoRestrctn S [2.00 3.99] -- sequential
   262-> LYS    19 HN   - LYS     19 HG1   1.80  6.26 	 # NoRestrctn I [2.35 6.01] -- intra 
   266-> THR    21 HN   - THR     21 HB    1.80  4.78 	 # NoRestrctn I [2.00 4.30] -- intra 
   268-> PHE    22 HA   - ASP     23 HN    1.80  4.24 	 # NoRestrctn S [2.00 3.99] -- sequential
   279-> PHE    24 HA   - LYS     25 HN    1.80  4.02 	 # NoRestrctn S [2.00 3.99] -- sequential
   286-> LYS    25 HN   - LYS     25 HB2   1.80  4.52 	 # NoRestrctn I [2.00 4.30] -- intra 
   287-> LYS    25 HN   - LYS     25 HB1   1.80  4.52 	 # NoRestrctn I [2.00 4.30] -- intra 
   295-> LEU    26 HN   - LEU     26 HB2   1.80  4.38 	 # NoRestrctn I [2.00 4.30] -- intra 
   297-> LEU    26 HN   - LEU     26 HB1   1.80  4.40 	 # NoRestrctn I [2.00 4.30] -- intra 
   311-> ALA    28 HN   - ALA     28 HB*   1.80  3.70 	 # NoRestrctn I [2.66 3.68] -- intra 
   316-> PHE    29 HN   - PHE     29 HB2   1.80  4.80 	 # NoRestrctn I [2.00 4.30] -- intra 
   319-> PHE    29 HN   - PHE     29 HB1   1.80  4.81 	 # NoRestrctn I [2.00 4.30] -- intra 
   321-> PHE    29 HN   - PRO     30 HA    1.80  5.71 	 # NoRestrctn S [2.00 3.99] -- sequential
   340-> ASN    33 HN   - ASN     33 HB1   1.80  4.57 	 # NoRestrctn I [2.00 4.30] -- intra 
   344-> ASN    33 HB2  - ASN     33 HD21  1.80  4.14 	 # NoRestrctn I [2.10 3.57] -- intra 
   360-> GLN    41 HN   - GLN     41 HB2   1.80  4.72 	 # NoRestrctn I [2.00 4.30] -- intra 
   366-> ILE    42 HN   - ILE     42 HB    1.80  4.37 	 # NoRestrctn I [2.00 4.30] -- intra 
   382-> LYS    44 HN   - LYS     44 HB1   1.80  4.81 	 # NoRestrctn I [2.00 4.30] -- intra 
   388-> TYR    46 HN   - TYR     46 HB2   1.80  4.88 	 # NoRestrctn I [2.00 4.30] -- intra 
   389-> TYR    46 HN   - TYR     46 HB1   1.80  4.88 	 # NoRestrctn I [2.00 4.30] -- intra 
   392-> GLN    48 HN   - GLN     48 HB2   1.80  4.34 	 # NoRestrctn I [2.00 4.30] -- intra 
   394-> GLN    48 HN   - GLN     48 HB1   1.80  4.66 	 # NoRestrctn I [2.00 4.30] -- intra 
   401-> ILE    50 HN   - ILE     50 HB    1.80  4.70 	 # NoRestrctn I [2.00 4.30] -- intra 
   417-> ILE    52 HN   - ILE     52 HG2*  1.80  4.94 	 # NoRestrctn I [2.04 4.91] -- intra 
   421-> ILE    52 HN   - GLN     53 HA    1.80  6.30 	 # NoRestrctn S [2.00 3.99] -- sequential
   424-> GLN    53 HN   - GLN     53 HB2   1.80  4.99 	 # NoRestrctn I [2.00 4.30] -- intra 
   429-> HIS    55 HN   - HIS     55 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   431-> HIS    55 HN   - HIS     55 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   438-> HIS    55 HN   - LYS     56 HA    1.80  5.83 	 # NoRestrctn S [2.00 3.99] -- sequential
   439-> LYS    56 HN   - LYS     56 HB1   1.80  4.32 	 # NoRestrctn I [2.00 4.30] -- intra 
   440-> TYR    57 HA   - GLN     58 HN    1.80  4.15 	 # NoRestrctn S [2.00 3.99] -- sequential
   457-> GLN    58 HN   - GLN     58 HB1   1.80  4.38 	 # NoRestrctn I [2.00 4.30] -- intra 
   469-> ASN    59 HB2  - ASN     59 HD21  1.80  4.30 	 # NoRestrctn I [2.10 3.57] -- intra 
   473-> ASN    59 HN   - GLU     60 HA    1.80  6.44 	 # NoRestrctn S [2.00 3.99] -- sequential
   480-> GLU    60 HN   - LEU     61 HA    1.80  6.04 	 # NoRestrctn S [2.00 3.99] -- sequential
   481-> LEU    61 HA   - ASP     62 HN    1.80  4.03 	 # NoRestrctn S [2.00 3.99] -- sequential
   489-> LEU    61 HN   - ASP     62 HA    1.80  6.16 	 # NoRestrctn S [2.00 3.99] -- sequential
   492-> ASP    62 HN   - ASP     62 HB2   1.80  4.68 	 # NoRestrctn I [2.00 4.30] -- intra 
   495-> ASP    62 HN   - ASP     62 HB1   1.80  4.76 	 # NoRestrctn I [2.00 4.30] -- intra 
   500-> ILE    63 HN   - ILE     63 HB    1.80  4.54 	 # NoRestrctn I [2.00 4.30] -- intra 
   511-> LYS    64 HN   - ILE     65 HA    1.80  5.76 	 # NoRestrctn S [2.00 3.99] -- sequential
   518-> LEU    69 HN   - LEU     69 HB2   1.80  4.97 	 # NoRestrctn I [2.00 4.30] -- intra 
   521-> LEU    69 HN   - LEU     69 HB1   1.80  4.97 	 # NoRestrctn I [2.00 4.30] -- intra 
   528-> ASP    74 HN   - ASP     74 HB2   1.80  4.32 	 # NoRestrctn I [2.00 4.30] -- intra 
   531-> ASP    74 HN   - ASP     74 HB1   1.80  4.32 	 # NoRestrctn I [2.00 4.30] -- intra 
   543-> SER    77 HN   - ALA     78 HA    1.80  6.52 	 # NoRestrctn S [2.00 3.99] -- sequential
   547-> ALA    78 HN   - ALA     78 HB*   1.80  3.92 	 # NoRestrctn I [2.66 3.68] -- intra 
   551-> ASN    79 HN   - ASN     79 HA    1.80  3.44 	 # NoRestrctn I [2.22 2.95] -- intra 
   562-> ASN    81 HN   - GLY     82 HA1   1.80  5.80 	 # NoRestrctn S [2.00 3.99] -- sequential
   563-> GLY    82 HN   - THR     83 HA    1.80  6.68 	 # NoRestrctn S [2.00 3.99] -- sequential
   564-> THR    83 HA   - LEU     84 HN    1.80  4.01 	 # NoRestrctn S [2.00 3.99] -- sequential
   568-> LYS    85 HA   - LEU     86 HN    1.80  4.14 	 # NoRestrctn S [2.00 3.99] -- sequential
   570-> LYS    85 HN   - LYS     85 HB1   1.80  4.46 	 # NoRestrctn I [2.00 4.30] -- intra 
   573-> LEU    86 HN   - LEU     86 HB1   1.80  4.56 	 # NoRestrctn I [2.00 4.30] -- intra 
   576-> SER    87 HN   - SER     87 HB2   1.80  4.70 	 # NoRestrctn I [2.00 4.30] -- intra 
   577-> SER    87 HN   - SER     87 HB1   1.80  4.70 	 # NoRestrctn I [2.00 4.30] -- intra 
   581-> LEU    88 HA   - MET     89 HN    1.80  4.02 	 # NoRestrctn S [2.00 3.99] -- sequential
   599-> THR    91 HN   - THR     91 HB    1.80  4.51 	 # NoRestrctn I [2.00 4.30] -- intra 
   610-> ASP    92 HN   - ASP     92 HB2   1.80  4.50 	 # NoRestrctn I [2.00 4.30] -- intra 
   613-> ASP    92 HN   - ASP     92 HB1   1.80  4.50 	 # NoRestrctn I [2.00 4.30] -- intra 
   618-> LYS    93 HN   - LYS     93 HB1   1.80  4.51 	 # NoRestrctn I [2.00 4.30] -- intra 
   619-> LYS    93 HN   - LYS     93 HB2   1.80  4.32 	 # NoRestrctn I [2.00 4.30] -- intra 
   622-> LYS    94 HA   - ASN     95 HN    1.80  4.20 	 # NoRestrctn S [2.00 3.99] -- sequential
   623-> LYS    94 HN   - LYS     94 HB2   1.80  4.73 	 # NoRestrctn I [2.00 4.30] -- intra 
   625-> LYS    94 HN   - LYS     94 HB1   1.80  4.73 	 # NoRestrctn I [2.00 4.30] -- intra 
   642-> ASN    96 HN   - ASN     96 HA    1.80  3.49 	 # NoRestrctn I [2.22 2.95] -- intra 
   644-> ASN    96 HN   - ASN     96 HB2   1.80  4.40 	 # NoRestrctn I [2.00 4.30] -- intra 
   646-> ASN    96 HB1  - ASN     96 HD21  1.80  4.26 	 # NoRestrctn I [2.10 3.57] -- intra 
   661-> TYR    99 HN   - TYR     99 HB1   1.80  5.02 	 # NoRestrctn I [2.00 4.30] -- intra 
   673-> LYS   101 HN   - LYS    101 HB2   1.80  4.62 	 # NoRestrctn I [2.00 4.30] -- intra 
   677-> LEU   102 HN   - LEU    102 HB1   1.80  4.39 	 # NoRestrctn I [2.00 4.30] -- intra 
   682-> LEU   103 HN   - LEU    103 HB2   1.80  4.42 	 # NoRestrctn I [2.00 4.30] -- intra 
   685-> GLU   104 HN   - GLU    104 HB1   1.80  4.57 	 # NoRestrctn I [2.00 4.30] -- intra 
   690-> SER   106 HN   - SER    106 HB2   1.80  4.66 	 # NoRestrctn I [2.00 4.30] -- intra 
   699-> LYS   109 HN   - LYS    109 HB1   1.80  4.70 	 # NoRestrctn I [2.00 4.30] -- intra 
   702-> ASN   111 HN   - ASN    111 HB2   1.80  4.76 	 # NoRestrctn I [2.00 4.30] -- intra 
   703-> ASN   111 HB2  - ASN    111 HD21  1.80  4.84 	 # NoRestrctn I [2.10 3.57] -- intra 
   705-> ASN   111 HN   - ASN    111 HB1   1.80  4.76 	 # NoRestrctn I [2.00 4.30] -- intra 
   706-> ASN   111 HB1  - ASN    111 HD21  1.80  4.84 	 # NoRestrctn I [2.10 3.57] -- intra 
   709-> TYR   113 HN   - TYR    113 HB2   1.80  4.62 	 # NoRestrctn I [2.00 4.30] -- intra 
   718-> PHE    24 HN   - PHE     24 HB1   1.80  4.51 	 # NoRestrctn I [2.00 4.30] -- intra 
   719-> ILE    65 HN   - ILE     65 HG2*  1.80  5.70 	 # NoRestrctn I [2.04 4.91] -- intra 
   753-> SER   110 HN   - SER    110 HB2   1.80  5.02 	 # NoRestrctn I [2.00 4.30] -- intra 
   762-> GLY    76 HN   - SER     77 HA    1.80  6.40 	 # NoRestrctn S [2.00 3.99] -- sequential
   764-> HIS   116 HA   - HIS    117 HN    1.80  4.12 	 # NoRestrctn S [2.00 3.99] -- sequential
   766-> LEU     2 HA   - SER      3 HN    1.80  4.24 	 # NoRestrctn S [2.00 3.99] -- sequential
   767-> SER     3 HN   - SER      3 HB1   1.80  4.63 	 # NoRestrctn I [2.00 4.30] -- intra 
   768-> SER     3 HN   - SER      3 HB2   1.80  4.63 	 # NoRestrctn I [2.00 4.30] -- intra 
   792-> GLY   107 HN   - PHE    108 HA    1.80  6.13 	 # NoRestrctn S [2.00 3.99] -- sequential
   877-> LYS    10 HN   - LYS     10 HB2   1.80  4.64 	 # NoRestrctn I [2.00 4.30] -- intra 
   896-> ASP    20 HA   - ASP     20 HB2   1.80  3.59 	 # NoRestrctn I [2.22 3.02] -- intra 
   952-> GLU   115 HA   - GLU    115 HG2   1.80  5.04 	 # NoRestrctn I [2.06 4.60] -- intra 
   953-> GLU   115 HA   - GLU    115 HG1   1.80  5.04 	 # NoRestrctn I [2.06 4.60] -- intra 
   969-> GLN    53 HN   - GLN     53 HG2   1.80  6.72 	 # NoRestrctn I [2.35 6.01] -- intra 
   970-> GLN    53 HN   - GLN     53 HG1   1.80  6.72 	 # NoRestrctn I [2.35 6.01] -- intra 
   971-> GLN    53 HA   - GLN     53 HG2   1.80  4.82 	 # NoRestrctn I [2.06 4.60] -- intra 
   972-> GLN    53 HA   - GLN     53 HG1   1.80  4.82 	 # NoRestrctn I [2.06 4.60] -- intra 
  1022-> LYS    11 HA   - LYS     11 HG2   1.80  4.80 	 # NoRestrctn I [2.06 4.60] -- intra 
  1040-> LYS    80 HA   - LYS     80 HG1   1.80  4.70 	 # NoRestrctn I [2.06 4.60] -- intra 
  1067-> LYS    11 HA   - LYS     11 HG1   1.80  4.80 	 # NoRestrctn I [2.06 4.60] -- intra 
  1086-> GLU     7 HB2  - GLU      7 HG1   1.80  3.29 	 # NoRestrctn I [1.99 3.26] -- intra 
  1087-> GLU     7 HB1  - GLU      7 HG2   1.80  3.53 	 # NoRestrctn I [1.99 3.26] -- intra 
  1097-> LEU     2 HA   - LEU      2 HG    1.80  4.69 	 # NoRestrctn I [2.06 4.26] -- intra 
  1108-> ASP     8 HN   - ASP      8 HB2   1.80  4.58 	 # NoRestrctn I [2.00 4.30] -- intra 
  1117-> LYS    10 HA   - LYS     10 HG2   1.80  4.64 	 # NoRestrctn I [2.06 4.60] -- intra 
  1123-> ILE    12 HA   - ILE     12 HG2*  1.80  4.07 	 # NoRestrctn I [2.63 3.78] -- intra 
  1126-> ILE    12 HA   - ILE     12 HG11  1.80  4.75 	 # NoRestrctn I [2.06 4.60] -- intra 
  1158-> ASN    15 HA   - ASN     15 HB2   1.80  3.37 	 # NoRestrctn I [2.22 3.02] -- intra 
  1163-> ILE    16 HA   - ILE     16 HG12  1.80  5.03 	 # NoRestrctn I [2.06 4.60] -- intra 
  1164-> ILE    16 HA   - ILE     16 HG2*  1.80  4.12 	 # NoRestrctn I [2.63 3.78] -- intra 
  1165-> ILE    16 HB   - ILE     16 HD1*  1.80  3.90 	 # NoRestrctn I [2.63 3.78] -- intra 
  1167-> ILE    16 HA   - ILE     16 HG11  1.80  4.87 	 # NoRestrctn I [2.06 4.60] -- intra 
  1193-> LEU    18 HA   - LEU     18 HG    1.80  4.94 	 # NoRestrctn I [2.06 4.26] -- intra 
  1204-> LYS    19 HN   - LYS     19 HG2   1.80  6.26 	 # NoRestrctn I [2.35 6.01] -- intra 
  1228-> LYS    25 HN   - LEU     26 HA    1.80  6.05 	 # NoRestrctn S [2.00 3.99] -- sequential
  1240-> LEU    26 HA   - LEU     26 HG    1.80  4.58 	 # NoRestrctn I [2.06 4.26] -- intra 
  1246-> ALA    27 HN   - ALA     27 HB*   1.80  3.86 	 # NoRestrctn I [2.66 3.68] -- intra 
  1251-> ALA    27 HA   - ALA     28 HB*   1.80  6.28 	 # NoRestrctn S [2.00 6.01] -- sequential
  1256-> PHE    29 HA   - PRO     30 HD1   1.80  4.70 	 # NoRestrctn S [2.00 3.95] -- sequential
  1267-> PHE    29 HA   - PRO     30 HD2   1.80  4.70 	 # NoRestrctn S [2.00 3.95] -- sequential
  1271-> ASN    33 HA   - TYR     34 HN    1.80  4.27 	 # NoRestrctn S [2.00 3.99] -- sequential
  1283-> GLN    41 HA   - GLN     41 HG2   1.80  4.99 	 # NoRestrctn I [2.06 4.60] -- intra 
  1284-> GLN    41 HA   - GLN     41 HG1   1.80  4.99 	 # NoRestrctn I [2.06 4.60] -- intra 
  1290-> ILE    42 HB   - ILE     42 HD1*  1.80  4.30 	 # NoRestrctn I [2.63 3.78] -- intra 
  1298-> ILE    42 HA   - ILE     42 HG2*  1.80  4.72 	 # NoRestrctn I [2.63 3.78] -- intra 
  1307-> GLN    48 HA   - GLN     48 HG2   1.80  4.72 	 # NoRestrctn I [2.06 4.60] -- intra 
  1310-> GLN    48 HA   - GLN     48 HG1   1.80  4.72 	 # NoRestrctn I [2.06 4.60] -- intra 
  1314-> ILE    50 HA   - ILE     50 HG2*  1.80  3.84 	 # NoRestrctn I [2.63 3.78] -- intra 
  1315-> ILE    50 HB   - ILE     50 HD1*  1.80  3.89 	 # NoRestrctn I [2.63 3.78] -- intra 
  1323-> GLU    51 HN   - GLU     51 HB2   1.80  4.56 	 # NoRestrctn I [2.00 4.30] -- intra 
  1324-> GLU    51 HN   - GLU     51 HB1   1.80  4.56 	 # NoRestrctn I [2.00 4.30] -- intra 
  1327-> ILE    52 HB   - ILE     52 HD1*  1.80  4.22 	 # NoRestrctn I [2.63 3.78] -- intra 
  1338-> ILE    52 HA   - ILE     52 HG2*  1.80  3.89 	 # NoRestrctn I [2.63 3.78] -- intra 
  1344-> GLN    53 HN   - GLN     53 HB1   1.80  4.99 	 # NoRestrctn I [2.00 4.30] -- intra 
  1380-> ILE    63 HN   - ILE     63 HG2*  1.80  4.92 	 # NoRestrctn I [2.04 4.91] -- intra 
  1384-> ILE    63 HA   - ILE     63 HG2*  1.80  4.14 	 # NoRestrctn I [2.63 3.78] -- intra 
  1386-> ILE    63 HB   - ILE     63 HD1*  1.80  3.96 	 # NoRestrctn I [2.63 3.78] -- intra 
  1402-> LYS    64 HA   - LYS     64 HG2   1.80  4.82 	 # NoRestrctn I [2.06 4.60] -- intra 
  1403-> LYS    64 HA   - LYS     64 HG1   1.80  4.82 	 # NoRestrctn I [2.06 4.60] -- intra 
  1410-> ILE    66 HB   - ILE     66 HD1*  1.80  3.95 	 # NoRestrctn I [2.63 3.78] -- intra 
  1419-> PHE    68 HA   - LEU     69 HN    1.80  4.14 	 # NoRestrctn S [2.00 3.99] -- sequential
  1420-> LEU    69 HA   - LEU     69 HG    1.80  4.43 	 # NoRestrctn I [2.06 4.26] -- intra 
  1432-> ASN    81 HA   - GLY     82 HN    1.80  4.26 	 # NoRestrctn S [2.00 3.99] -- sequential
  1433-> THR    83 HN   - THR     83 HB    1.80  4.74 	 # NoRestrctn I [2.00 4.30] -- intra 
  1443-> LEU    90 HA   - LEU     90 HG    1.80  5.05 	 # NoRestrctn I [2.06 4.26] -- intra 
  1456-> LEU    88 HA   - LEU     88 HG    1.80  4.40 	 # NoRestrctn I [2.06 4.26] -- intra 
  1459-> ILE    65 HB   - ILE     65 HD1*  1.80  4.87 	 # NoRestrctn I [2.63 3.78] -- intra 
  1486-> ASN    95 HN   - ASN     96 HA    1.80  5.32 	 # NoRestrctn S [2.00 3.99] -- sequential
  1489-> ASN    95 HA   - ASN     95 HB1   1.80  3.41 	 # NoRestrctn I [2.22 3.02] -- intra 
  1521-> LEU   103 HA   - LEU    103 HB1   1.80  3.11 	 # NoRestrctn I [2.22 3.02] -- intra 
  1526-> GLU   104 HN   - GLU    104 HB2   1.80  4.57 	 # NoRestrctn I [2.00 4.30] -- intra 
  1528-> VAL   105 HN   - VAL    105 HB    1.80  4.88 	 # NoRestrctn I [2.00 4.30] -- intra 
  1531-> SER   106 HN   - SER    106 HB1   1.80  4.66 	 # NoRestrctn I [2.00 4.30] -- intra 
  1538-> SER   110 HN   - SER    110 HB1   1.80  5.02 	 # NoRestrctn I [2.00 4.30] -- intra 
  1547-> ILE    12 HB   - ILE     12 HD1*  1.80  3.83 	 # NoRestrctn I [2.63 3.78] -- intra 
  1553-> ILE    66 HA   - ILE     66 HG2*  1.80  4.31 	 # NoRestrctn I [2.63 3.78] -- intra 
  1554-> ILE    65 HA   - ILE     65 HG2*  1.80  4.52 	 # NoRestrctn I [2.63 3.78] -- intra 
  1562-> ILE    12 HA   - ILE     12 HG12  1.80  4.75 	 # NoRestrctn I [2.06 4.60] -- intra 
  1568-> LEU    86 HA   - LEU     86 HG    1.80  4.86 	 # NoRestrctn I [2.06 4.26] -- intra 
  1575-> LEU    37 HN   - LEU     37 HG    1.80  6.13 	 # NoRestrctn I [2.35 6.01] -- intra 
  1577-> LEU    37 HA   - LEU     37 HG    1.80  4.90 	 # NoRestrctn I [2.06 4.26] -- intra 
  1600-> GLU     7 HA   - GLU      7 HG2   1.80  4.87 	 # NoRestrctn I [2.06 4.60] -- intra 
  1612-> GLN     4 HN   - GLN      4 HB1   1.80  4.82 	 # NoRestrctn I [2.00 4.30] -- intra 
  1616-> LEU    18 HB1  - LEU     18 HD2*  1.80  4.99 	 # NoRestrctn I [2.00 4.90] -- intra 
  1617-> LEU    18 HB1  - LEU     18 HD1*  1.80  4.99 	 # NoRestrctn I [2.00 4.90] -- intra 
  1723-> HIS    55 HB2  - HIS     55 HD2   1.80  4.74 	 # NoRestrctn I [2.72 4.00] -- intra 
  1724-> HIS    55 HB1  - HIS     55 HD2   1.80  4.74 	 # NoRestrctn I [2.72 4.00] -- intra 
  1787-> SER     3 HA   - SER      3 HB*   1.80  3.08 	 # FixedDistn I [0.00 0.00] -- intra 
  1789-> GLN     4 HN   - GLN      4 HB*   1.80  4.01 	 # NoRestrctn I [2.29 3.93] -- intra 
  1811-> LYS    11 HA   - LYS     11 HG*   1.80  4.07 	 # NoRestrctn I [2.23 4.01] -- intra 
  1813-> LYS    11 HG*  - LYS     11 HD*   1.80  2.81 	 # NoRestrctn I [2.26 2.50] -- intra 
  1823-> ILE    12 HA   - ILE     12 HG1*  1.80  4.07 	 # NoRestrctn I [2.23 4.01] -- intra 
  1831-> ARG    17 HN   - ARG     17 HB*   1.80  4.20 	 # NoRestrctn I [2.29 3.93] -- intra 
  1832-> ARG    17 HA   - ARG     17 HB*   1.80  3.07 	 # FixedDistn I [0.00 0.00] -- intra 
  1875-> LYS    19 HN   - LYS     19 HB*   1.80  4.22 	 # NoRestrctn I [2.29 3.93] -- intra 
  1890-> ASP    23 HA   - ASP     23 HB*   1.80  3.11 	 # FixedDistn I [0.00 0.00] -- intra 
  1932-> ASN    31 HN   - ASN     31 HB*   1.80  4.26 	 # NoRestrctn I [2.29 3.93] -- intra 
  1934-> ASN    31 HA   - ASN     31 HB*   1.80  3.02 	 # FixedDistn I [0.00 0.00] -- intra 
  1935-> ASN    31 HB*  - ASN     31 HD22  1.80  4.16 	 # NoRestrctn I [2.38 3.90] -- intra 
  1937-> ASN    31 HB*  - GLN     32 HA    1.80  7.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  1941-> GLN    32 HA   - GLN     32 HG*   1.80  4.28 	 # NoRestrctn I [2.23 4.01] -- intra 
  1960-> GLN    36 HN   - GLN     36 HB*   1.80  4.26 	 # NoRestrctn I [2.29 3.93] -- intra 
  1966-> LEU    37 HN   - LEU     37 HB*   1.80  4.37 	 # NoRestrctn I [2.29 3.93] -- intra 
  1990-> GLN    41 HA   - GLN     41 HG*   1.80  4.20 	 # NoRestrctn I [2.23 4.01] -- intra 
  1993-> GLN    41 HB*  - ILE     42 HA    1.80  6.72 	 # NoRestrctn S [2.00 6.01] -- sequential
  1996-> ILE    42 HN   - TYR     43 HB*   1.80  6.41 	 # NoRestrctn S [2.00 6.01] -- sequential
  2010-> LYS    44 HN   - ASN     45 HB*   1.80  7.34 	 # NoRestrctn S [2.00 6.01] -- sequential
  2013-> ASN    45 HN   - ASN     45 HB*   1.80  4.28 	 # NoRestrctn I [2.29 3.93] -- intra 
  2017-> TYR    46 HN   - TYR     46 HB*   1.80  4.20 	 # NoRestrctn I [2.15 3.88] -- intra 
  2023-> GLN    48 HA   - GLN     48 HG*   1.80  4.13 	 # NoRestrctn I [2.23 4.01] -- intra 
  2024-> GLY    49 HA*  - ILE     50 HN    1.80  3.60 	 # NoRestrctn S [2.00 3.55] -- sequential
  2026-> ILE    50 HA   - ILE     50 HG1*  1.80  4.42 	 # NoRestrctn I [2.23 4.01] -- intra 
  2035-> GLN    53 HN   - GLN     53 HB*   1.80  4.20 	 # NoRestrctn I [2.29 3.93] -- intra 
  2037-> GLN    53 HA   - GLN     53 HG*   1.80  4.19 	 # NoRestrctn I [2.23 4.01] -- intra 
  2042-> HIS    55 HN   - HIS     55 HB*   1.80  4.39 	 # NoRestrctn I [2.29 3.93] -- intra 
  2047-> LYS    56 HA   - LYS     56 HG*   1.80  4.02 	 # NoRestrctn I [2.23 4.01] -- intra 
  2073-> LYS    64 HN   - LYS     64 HB*   1.80  4.12 	 # NoRestrctn I [2.29 3.93] -- intra 
  2076-> LYS    64 HA   - LYS     64 HG*   1.80  4.10 	 # NoRestrctn I [2.23 4.01] -- intra 
  2104-> LEU    69 HN   - LEU     69 HB*   1.80  4.21 	 # NoRestrctn I [2.29 3.93] -- intra 
  2136-> ASN    79 HN   - ASN     79 HB*   1.80  4.30 	 # NoRestrctn I [2.29 3.93] -- intra 
  2144-> LYS    80 HD*  - ASN     81 HB*   1.80  6.60 	 # NoRestrctn S [2.00 5.99] -- sequential
  2147-> ASN    81 HN   - GLY     82 HA*   1.80  5.00 	 # NoRestrctn S [2.00 3.55] -- sequential
  2167-> LYS    85 HN   - LYS     85 HD*   1.80  6.29 	 # NoRestrctn I [2.29 6.01] -- intra 
  2169-> LYS    85 HA   - LYS     85 HG*   1.80  4.44 	 # NoRestrctn I [2.23 4.01] -- intra 
  2182-> LEU    86 HA   - LEU     86 HD*   1.80  4.58 	 # NoRestrctn I [2.46 4.44] -- intra 
  2195-> SER    87 HA   - SER     87 HB*   1.80  3.02 	 # FixedDistn I [0.00 0.00] -- intra 
  2207-> MET    89 HB*  - LEU     90 HA    1.80  7.52 	 # NoRestrctn S [2.00 6.01] -- sequential
  2234-> LYS    93 HA   - LYS     93 HG*   1.80  4.08 	 # NoRestrctn I [2.23 4.01] -- intra 
  2236-> LYS    94 HN   - LYS     94 HB*   1.80  4.03 	 # NoRestrctn I [2.29 3.93] -- intra 
  2238-> LYS    94 HA   - LYS     94 HG*   1.80  4.19 	 # NoRestrctn I [2.23 4.01] -- intra 
  2259-> TYR   100 HN   - TYR    100 HB*   1.80  3.91 	 # NoRestrctn I [2.15 3.88] -- intra 
  2269-> LEU   102 HB1  - LEU    102 HD*   1.80  3.28 	 # NoRestrctn I [2.00 3.20] -- intra 
  2273-> GLU   104 HA   - GLU    104 HG*   1.80  4.39 	 # NoRestrctn I [2.23 4.01] -- intra 
  2275-> SER   106 HN   - SER    106 HB*   1.80  4.01 	 # NoRestrctn I [2.29 3.93] -- intra 
  2277-> PHE   108 HN   - PHE    108 HB*   1.80  4.22 	 # NoRestrctn I [2.29 3.93] -- intra 
  2278-> PHE   108 HA   - PHE    108 HB*   1.80  3.13 	 # FixedDistn I [0.00 0.00] -- intra 
  2282-> LYS   109 HA   - LYS    109 HG*   1.80  4.33 	 # NoRestrctn I [2.23 4.01] -- intra 
  2290-> ASN   111 HN   - ASN    111 HB*   1.80  4.06 	 # NoRestrctn I [2.29 3.93] -- intra 
  2308-> GLU   115 HA   - GLU    115 HG*   1.80  4.12 	 # NoRestrctn I [2.23 4.01] -- intra 
  2310-> HIS   116 HA   - HIS    116 HB*   1.80  3.00 	 # FixedDistn I [0.00 0.00] -- intra 
 ====== TOTAL ======:  246

table of distance constraints violations


  Residual Violations greater than 0.10 

   80-> PHE     22 HB3  - LYS     56 HN   [ 1.80  5.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.11 -   2 [ 0.07 ..  0.11]
  105-> ASN    111 HA   - TYR    113 HN   [ 1.80  4.94]  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
  107-> GLN     58 HE22 - LEU     61 HB2  [ 1.80  4.98]  0.00  0.02  0.04  0.03  0.00  0.00  0.00  0.12  0.02  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00 -   7 [ 0.02 ..  0.12]
  119-> ARG     17 HG3  - LEU     18 HN   [ 1.80  4.74]  0.00  0.00  0.00  0.08  0.27  0.07  0.18  0.00  0.14  0.00  0.36  0.00  0.32  0.17  0.27  0.14  0.28  0.14  0.15  0.06 -  14 [ 0.06 ..  0.36]
  165-> ALA      5 HN   - ASP      8 HN   [ 1.80  4.79]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.78  0.00  0.00  0.61  0.00  0.00  0.00  0.00 -   2 [ 0.61 ..  0.78]
  188-> ASP      8 HN   - LYS     10 HG2  [ 1.80  5.89]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.71  0.00  0.00  0.00  0.00  0.88  0.00  0.00 -   2 [ 0.71 ..  0.88]
  189-> LYS     10 HN   - LYS     10 HG2  [ 1.80  4.04]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.33  0.00  0.00 -   2 [ 0.20 ..  0.33]
  216-> VAL     13 HG1* - GLN     58 HE21 [ 1.80  7.80]  0.13  0.00  0.51  0.00  0.05  0.00  0.00  0.08  0.06  0.00  0.07  0.05  0.05  0.05  0.00  0.00  0.03  0.00  0.10  0.02 -  12 [ 0.02 ..  0.51]
  334-> ASN     31 HA   - ASN     31 HD21 [ 1.80  3.85]  0.11  0.00  0.17  0.14  0.11  0.11  0.16  0.14  0.00  0.08  0.02  0.00  0.16  0.16  0.14  0.10  0.18  0.21  0.15  0.18 -  17 [ 0.02 ..  0.21]
  337-> ASN     31 HD21 - GLN     32 HN   [ 1.80  5.60]  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.05  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.02 ..  0.11]
  345-> ASN     33 HN   - ASN     33 HD21 [ 1.80  5.10]  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.23  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00 -   3 [ 0.12 ..  0.23]
  368-> GLN     41 HN   - ILE     42 HG13 [ 1.80  5.46]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.41  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 1.41 ..  1.41]
  434-> HIS     55 HD2  - LYS     56 HN   [ 1.80  6.13]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19 -   2 [ 0.00 ..  0.19]
  437-> LYS     56 HN   - GLN     58 HN   [ 1.80  5.28]  0.08  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.12  0.00  0.00  0.19  0.00 -   5 [ 0.06 ..  0.19]
  441-> TYR     57 HA   - GLU     60 HN   [ 1.80  5.40]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.21  0.00  0.00  0.00  0.00 -   1 [ 0.21 ..  0.21]
  445-> TYR     57 HB3  - LEU     61 HN   [ 1.80  5.40]  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.05  0.11  0.11  0.00  0.00  0.04  0.00  0.00 -   6 [ 0.04 ..  0.11]
  603-> THR     91 HG2* - ASN     96 HD21 [ 1.80  6.60]  0.02  0.05  0.06  0.00  0.02  0.02  0.14  0.06  0.04  0.02  0.06  0.03  0.08  0.04  0.09  0.00  0.01  0.07  0.00  0.04 -  17 [ 0.01 ..  0.14]
  626-> LYS     94 HN   - LYS     94 HG2  [ 1.80  4.48]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.15 ..  0.15]
  645-> ASN     96 HB2  - ASN     96 HD21 [ 1.80  3.43]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.13  0.00 -   2 [ 0.13 ..  0.13]
  674-> ASN     14 HD22 - LYS    101 HG2  [ 1.80  6.50]  0.00  0.00  0.03  0.00  0.21  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.03 ..  0.21]
  851-> ARG     17 HA   - ARG     17 HG3  [ 1.80  3.60]  0.00  0.00  0.00  0.11  0.11  0.10  0.09  0.00  0.12  0.00  0.08  0.00  0.11  0.10  0.11  0.12  0.10  0.08  0.08  0.12 -  14 [ 0.08 ..  0.12]
  861-> GLN     58 HE21 - LEU     61 HD1* [ 1.80  4.22]  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.18  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02 -   3 [ 0.01 ..  0.18]
  868-> ALA      5 HB*  - GLU      7 HG2  [ 1.80  6.49]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00 -   1 [ 0.10 ..  0.10]
  910-> ILE     52 HG2* - GLN     58 HG3  [ 1.80  4.97]  0.03  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.04  0.00  0.05  0.00  0.33  0.00  0.03  0.00 -   6 [ 0.03 ..  0.33]
  940-> TYR     70 HA   - TYR     70 HD*  [ 1.80  4.76]  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.04  0.00  0.00 -   2 [ 0.04 ..  0.12]
  948-> GLU      7 HA   - LYS     10 HB3  [ 1.80  4.04]  0.00  0.00  0.00  0.02  0.28  0.04  0.00  0.00  0.00  0.06  0.04  0.00  0.00  0.07  0.06  0.00  0.00  0.00  0.00  0.00 -   9 [ 0.00 ..  0.28]
  949-> GLU      7 HG3  - ASP      8 HA   [ 1.80  4.99]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.48  0.00  0.00  0.00  1.32  0.00 -   2 [ 1.32 ..  1.48]
  958-> ILE     12 HB   - VAL     13 HA   [ 1.80  5.46]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00 -   1 [ 0.19 ..  0.19]
 1011-> LEU     26 HG   - LEU     37 HG   [ 1.80  5.54]  0.00  0.00  0.00  0.00  0.02  0.00  0.06  0.00  0.00  0.06  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00 -   5 [ 0.01 ..  0.11]
 1073-> THR     83 HG2* - VAL    105 HA   [ 1.80  5.05]  0.08  0.06  0.10  0.07  0.06  0.00  0.05  0.00  0.00  0.08  0.00  0.00  0.08  0.00  0.00  0.01  0.00  0.12  0.00  0.04 -  11 [ 0.01 ..  0.12]
 1098-> LEU      2 HA   - LEU      2 HD1* [ 1.80  3.96]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.12 ..  0.12]
 1103-> ALA      5 HB*  - ASP      8 HA   [ 1.80  5.64]  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.54  0.00 -   4 [ 0.07 ..  0.54]
 1104-> ALA      5 HB*  - ASN      6 HB2  [ 1.80  5.18]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.00  0.32  0.00  0.03  0.00  0.00 -   3 [ 0.03 ..  0.35]
 1107-> ASN      6 HA   - ASN      6 HD21 [ 1.80  3.65]  0.10  0.10  0.12  0.10  0.01  0.11  0.11  0.08  0.08  0.02  0.10  0.09  0.00  0.49  0.09  0.08  0.09  0.00  0.00  0.12 -  17 [ 0.01 ..  0.49]
 1109-> ALA      5 HB*  - GLU      7 HA   [ 1.80  6.13]  0.00  0.00  0.00  0.00  0.74  0.00  0.00  0.00  0.00  0.58  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.59  0.01  0.00 -   4 [ 0.01 ..  0.74]
 1120-> ILE     12 HN   - ILE     12 HD1* [ 1.80  4.16]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00 -   1 [ 0.16 ..  0.16]
 1151-> VAL     13 HG2* - ASN     14 HD21 [ 1.80  4.88]  0.15  0.10  0.00  0.11  0.00  0.10  0.10  0.09  0.08  0.12  0.14  0.13  0.10  0.10  0.12  0.10  0.12  0.11  0.13  0.13 -  18 [ 0.08 ..  0.15]
 1238-> LEU     26 HN   - PRO     30 HA   [ 1.80  4.78]  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00 -   4 [ 0.00 ..  0.12]
 1243-> LEU     26 HG   - ILE     42 HG2* [ 1.80  4.57]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.24  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.24 ..  0.24]
 1355-> TYR     57 HA   - LEU     61 HG   [ 1.80  6.96]  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.05  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.04  0.00 -   6 [ 0.00 ..  0.13]
 1356-> VAL     13 HA   - LYS    101 HG2  [ 1.80  6.04]  0.00  0.00  0.22  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.22 ..  0.22]
 1357-> TYR     57 HB2  - LEU     61 HG   [ 1.80  6.04]  0.00  0.00  0.00  0.00  0.00  0.34  0.00  0.00  0.00  0.00  0.02  0.00  0.02  0.01  0.00  0.00  0.00  0.03  0.00  0.00 -   5 [ 0.01 ..  0.34]
 1462-> MET     89 HA   - TYR     99 HB3  [ 1.80  6.28]  0.86  0.00  0.00  0.00  0.00  0.00  0.83  0.00  0.00  0.00  0.00  0.00  0.00  0.81  0.00  0.00  0.00  0.75  0.00  0.00 -   4 [ 0.75 ..  0.86]
 1484-> LYS     94 HN   - LYS     94 HG3  [ 1.80  4.48]  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.12  0.04  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.04 ..  0.12]
 1501-> VAL     98 HG2* - TYR     99 HA   [ 1.80  4.96]  0.00  0.53  0.56  0.53  0.54  0.00  0.00  0.00  0.54  0.55  0.00  0.00  0.00  0.00  0.55  0.00  0.00  0.00  0.00  0.00 -   7 [ 0.53 ..  0.56]
 1578-> PHE     29 HB2  - LEU     37 HG   [ 1.80  5.45]  0.00  0.05  0.00  0.00  0.00  0.04  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.04 ..  0.14]
 1605-> ASN    111 HD21 - LEU    114 HD2* [ 1.80  5.46]  0.00  0.00  0.00  0.14  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00 -   3 [ 0.01 ..  0.14]
 1727-> TYR     99 HD*  - LYS    101 HB2  [ 1.80  5.00]  0.00  0.00  0.52  0.00  0.00  0.34  0.00  0.29  0.38  0.00  0.00  0.00  0.27  0.00  0.00  0.00  0.00  0.00  0.30  0.00 -   6 [ 0.27 ..  0.52]
 1791-> GLN      4 HA   - ASP      8 HB*  [ 1.80  4.63]  0.09  0.04  0.07  0.39  0.47  0.07  0.00  0.99  0.48  0.60  0.02  0.09  0.00  0.33  0.42  1.95  0.16  0.15  0.00  0.00 -  16 [ 0.02 ..  1.95]
 1808-> PHE      9 HB*  - ILE     12 HD1* [ 1.80  4.92]  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.17  0.09  0.02  0.00  0.00  0.81  0.00 -   6 [ 0.01 ..  0.81]
 1817-> LYS     11 HG*  - ASN     15 HB2  [ 1.80  3.71]  0.02  0.00  0.00  0.10  0.00  0.02  0.01  0.00  0.09  0.08  0.14  0.09  0.08  0.00  0.10  0.20  0.10  0.04  0.02  0.11 -  17 [ 0.00 ..  0.20]
 1819-> LYS     11 HD*  - ILE     12 HN   [ 1.80  5.05]  0.00  0.00  0.00  0.00  0.31  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.31 ..  0.31]
 1843-> ARG     17 HG3  - LEU     18 HD*  [ 1.80  4.91]  0.00  0.00  0.00  0.08  0.09  0.05  0.10  0.00  0.13  0.00  0.14  0.00  0.13  0.11  0.15  0.08  0.12  0.13  0.05  0.14 -  14 [ 0.05 ..  0.15]
 1866-> LEU     18 HD*  - LEU     86 HG   [ 1.80  3.83]  0.00  0.02  0.00  0.04  0.08  0.10  0.05  0.04  0.04  0.00  0.26  0.00  0.08  0.07  0.07  0.07  0.14  0.07  0.26  0.02 -  16 [ 0.02 ..  0.26]
 1887-> THR     21 HB   - LYS     56 HD*  [ 1.80  5.50]  0.91  0.00  0.00  0.00  0.91  0.00  0.54  0.00  0.00  0.99  0.69  0.46  0.36  1.07  0.00  0.00  0.00  0.00  0.03  0.00 -   9 [ 0.03 ..  1.07]
 1931-> PRO     30 HG2  - ASN     31 HB*  [ 1.80  5.40]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.49  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.49 ..  0.49]
 1933-> ASN     31 HN   - GLN     32 HG*  [ 1.80  5.47]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.24  0.00  0.00 -   1 [ 0.24 ..  0.24]
 1943-> GLN     32 HB*  - LEU     37 HB*  [ 1.80  5.06]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.23  0.00  0.00 -   1 [ 0.23 ..  0.23]
 1954-> TYR     34 HB*  - PHE    108 HN   [ 1.80  6.28]  0.02  0.05  0.06  0.00  0.08  0.07  0.04  0.00  0.05  0.00  0.00  0.01  0.04  0.07  0.04  0.11  0.03  0.00  0.08  0.03 -  15 [ 0.01 ..  0.11]
 2050-> LYS     56 HB*  - TYR     57 HN   [ 1.80  4.25]  0.06  0.00  0.00  0.18  0.11  0.09  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.14  0.15  0.00  0.14  0.01  0.00 -   9 [ 0.01 ..  0.18]
 2054-> LYS     56 HG*  - TYR     57 HB2  [ 1.80  5.15]  0.43  0.00  0.00  0.10  0.37  0.45  0.00  0.00  0.13  0.49  0.61  0.00  0.00  0.59  0.49  0.35  0.00  0.20  0.11  0.00 -  12 [ 0.10 ..  0.61]
 2056-> LYS     56 HD*  - TYR     57 HB2  [ 1.80  4.36]  0.36  0.31  0.28  0.00  0.37  0.00  0.31  0.39  0.01  0.16  0.51  0.09  0.00  0.40  0.45  0.45  0.38  0.00  0.40  0.00 -  15 [ 0.01 ..  0.51]
 2058-> LYS     56 HD*  - TYR     57 HD*  [ 1.80  5.34]  0.00  0.00  0.00  0.00  0.00  0.23  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.23 ..  0.23]
 2095-> PHE     68 HA   - LEU     69 HD*  [ 1.80  4.04]  0.04  0.09  0.13  0.08  0.01  0.09  0.04  0.06  0.10  0.08  0.05  0.13  0.06  0.06  0.09  0.06  0.03  0.03  0.04  0.07 -  20 [ 0.01 ..  0.13]
 2124-> ASP     74 HB*  - ALA     78 HN   [ 1.80  5.26]  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00 -   3 [ 0.00 ..  0.14]
 2153-> THR     83 HG2* - GLU    104 HB*  [ 1.80  5.22]  0.00  0.00  0.00  0.00  0.03  0.26  0.00  0.11  0.21  0.00  0.10  0.02  0.00  0.25  0.00  0.00  0.08  0.00  0.19  0.00 -   9 [ 0.02 ..  0.26]
 2173-> LYS     85 HB3  - LEU    102 HD*  [ 1.80  3.04]  0.09  0.10  0.03  0.06  0.10  0.05  0.11  0.07  0.12  0.07  0.10  0.07  0.06  0.12  0.09  0.10  0.01  0.05  0.04  0.06 -  20 [ 0.01 ..  0.12]
 2190-> LEU     86 HD*  - VAL    105 HB   [ 1.80  5.04]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.11 ..  0.11]
 2237-> LYS     94 HN   - LYS     94 HG*  [ 1.80  3.83]  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.18  0.17  0.19  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.17 ..  0.19]
   -------------------------------------------  
       Number of Violations greater than 0.10               9     4    10    10    15     8     9    10     9     9    10     7    14    15    16    15     9    18    17     8
   -------------------------------------------  

        ----  Summary Of Residual Distance Constraint Violations ---- 
                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:      5      2      5      8      5      3      6      6      5      3      5      4      9      8      9      9      6     10     11      8         6.35
      0.2 - 0.5  ang:      2      1      2      1      7      5      1      3      3      2      2      2      3      4      5      4      3      5      3      0         2.90
        > 0.5    ang:      2      1      3      1      3      0      2      1      1      4      3      1      2      3      2      2      0      3      3      0         1.85
        Total       :     40     35     36     41     48     45     34     32     41     36     42     29     47     34     36     41     30     47     47     33        38.70
 Minimum Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000        0.000
 Maximum Violation  :  0.913  0.528  0.555  0.530  0.911  0.448  0.826  0.986  0.545  0.991  0.686  1.413  0.777  1.073  1.480  1.946  0.384  0.882  1.316  0.191        1.946
    Max  Intra Viol :  0.122  0.151  0.171  0.172  0.113  0.115  0.159  0.228  0.116  0.081  0.099  0.172  0.199  0.488  0.195  0.130  0.179  0.327  0.159  0.178        0.488
    Max  Seque Viol :  0.427  0.528  0.555  0.530  0.543  0.448  0.309  0.390  0.545  0.554  0.606  1.413  0.317  0.594  1.480  0.454  0.384  0.244  1.316  0.191        1.480
    Max Medium Viol :  0.094  0.049  0.521  0.394  0.738  0.339  0.048  0.986  0.482  0.604  0.138  0.087  0.777  0.334  0.421  1.946  0.163  0.882  0.812  0.110        1.946
    Max   Long Viol :  0.913  0.100  0.505  0.071  0.911  0.259  0.826  0.138  0.207  0.991  0.686  0.457  0.358  1.073  0.091  0.112  0.334  0.755  0.255  0.108        1.073
 Average Violation  :  0.002  0.001  0.002  0.001  0.003  0.002  0.001  0.002  0.001  0.002  0.002  0.002  0.002  0.003  0.003  0.003  0.001  0.002  0.003  0.001      0.00188
    Avge Intra Viol :  0.001  0.001  0.001  0.001  0.000  0.001  0.001  0.001  0.000  0.000  0.000  0.001  0.002  0.002  0.001  0.001  0.001  0.001  0.001  0.001      0.00081
    Avge Seque Viol :  0.001  0.000  0.001  0.001  0.003  0.001  0.000  0.003  0.002  0.002  0.001  0.000  0.004  0.001  0.001  0.005  0.001  0.003  0.004  0.000      0.00175
    Avge Mediu Viol :  0.003  0.003  0.002  0.003  0.005  0.003  0.002  0.001  0.003  0.005  0.005  0.004  0.002  0.003  0.010  0.004  0.002  0.003  0.006  0.001      0.00345
    Avge  Long Viol :  0.004  0.001  0.002  0.001  0.003  0.001  0.003  0.001  0.001  0.002  0.003  0.002  0.002  0.004  0.001  0.001  0.001  0.003  0.001  0.001      0.00191
 RMS     Violation  :  0.030  0.015  0.022  0.017  0.034  0.017  0.023  0.025  0.019  0.033  0.025  0.032  0.027  0.036  0.040  0.046  0.015  0.031  0.038  0.009      0.02820
   RMS   Intra      :  0.008  0.009  0.009  0.011  0.007  0.010  0.009  0.012  0.006  0.003  0.005  0.009  0.015  0.023  0.013  0.009  0.009  0.017  0.011  0.010      0.01111
   RMS   Sequential :  0.007  0.003  0.021  0.017  0.037  0.019  0.002  0.041  0.024  0.033  0.007  0.005  0.043  0.016  0.018  0.081  0.008  0.043  0.041  0.005      0.03046
   RMS Medium range :  0.028  0.030  0.030  0.029  0.041  0.026  0.019  0.020  0.029  0.041  0.043  0.068  0.018  0.036  0.087  0.034  0.024  0.020  0.067  0.014      0.03972
   RMS  Long range  :  0.051  0.008  0.023  0.007  0.038  0.012  0.041  0.010  0.011  0.040  0.030  0.022  0.016  0.055  0.007  0.008  0.016  0.033  0.014  0.007      0.02716


 Final --global-- Summary for 20 models, 2310 NOEs/model, 46200 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :     86.845
    Summ sq. viol :     36.750
     Maximum viol :      1.946
     Average viol :    0.00188
        RMSD viol :    0.02820
   Std. Dev. viol :    0.02814
      RMS   Intra :    0.01111 
      RMS   Seque :    0.03046 
      RMS   Medi  :    0.03972 
      RMS   Long  :    0.02716

table of dihedral angle constraints violations

    1-> [ASN  A   6] PHI    -89.0  -49.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   2 [   0.0 ..    1.3] 
    2-> [ASN  A   6] PSI    -52.0  -24.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    3.6    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    3.6] 
    3-> [GLU  A   7] PHI    -71.0  -51.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    7.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    7.5] 
    4-> [GLU  A   7] PSI    -52.0  -32.0    0.0    0.0    0.0    0.0    1.8    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.8] 
    5-> [ASP  A   8] PHI    -79.0  -51.0    0.0    0.0    0.0    0.0    2.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    2.2] 
   25-> [PHE  A  24] PHI   -170.0  -90.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.2] 
   30-> [LEU  A  26] PSI     93.0  137.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    2.1    0.0    0.0 -   1 [   0.0 ..    2.1] 
   46-> [ASN  A  45] PSI    -59.0    5.0    0.0    0.0    0.0    6.0    0.4    6.7    5.3    0.0    0.0    2.2    0.0    0.0    2.4    0.0    0.0    0.0    0.0    2.3    0.0    0.0 -   7 [   0.0 ..    6.7] 
  114-> [TYR  A 100] PSI    118.0  162.0    0.0    0.0    0.0    0.0    0.0   10.1    0.0    0.4    0.0    0.0    0.0    0.0    2.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..   10.1] 
  128-> [ASN  A 111] PSI     75.0 -161.0   10.2   16.9   14.4    0.0    1.7    0.0    0.0    6.0   17.3   15.2   17.2    5.0    7.8   23.6    0.2    8.7   11.0    5.4    2.0    0.0 -  16 [   0.0 ..   23.6] 

    ----  ACOSummary Of Residual ACO Constraint Violations ---- 

                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      0      0      0      1      3      1      1      1      0      4      1      1      3      0      0      1      0      3      1      0          1.05
   > 10.  degrees   :      1      1      1      0      0      1      0      0      1      1      1      0      0      1      0      0      1      0      0      0          0.45
        Total       :      1      2      1      1      4      2      1      3      1      5      2      1      4      1      1      1      1      3      1      0          1.80
 Minimum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Maximum Violation  :   10.2   16.9   14.4    6.0    2.2   10.1    5.3    6.0   17.3   15.2   17.2    5.0    7.8   23.6    0.2    8.7   11.0    5.4    2.0    0.0         23.58
     Max   PHI Viol :    0.0    0.0    0.0    0.0    2.2    0.0    0.0    0.0    0.0    7.5    1.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          7.49
     Max   PSI Viol :   10.2   16.9   14.4    6.0    1.8   10.1    5.3    6.0   17.3   15.2   17.2    5.0    7.8   23.6    0.2    8.7   11.0    5.4    2.0    0.0         23.58
 Average Violation  :    0.1    0.1    0.1    0.0    0.0    0.1    0.0    0.1    0.1    0.2    0.1    0.0    0.1    0.2    0.0    0.1    0.1    0.1    0.0    0.0         0.087
     Avge  PHI Viol :  0.000  0.000  0.000  0.000  0.184  0.000  0.000  0.000  0.000  0.371  0.139  0.000  0.017  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.098
     Avge  PSI Viol :  0.400  0.526  0.474  0.307  0.246  0.513  0.288  0.336  0.520  0.573  0.518  0.280  0.453  0.607  0.062  0.369  0.414  0.392  0.176  0.000         0.405
 RMS     Violation  :  0.904  1.495  1.269  0.532  0.292  1.072  0.468  0.538  1.527  1.551  1.524  0.444  0.768  2.084  0.021  0.770  0.970  0.551  0.174  0.000         1.018
      RMS  PHI Viol :  0.000  0.000  0.000  0.000  0.272  0.000  0.000  0.000  0.000  0.951  0.155  0.000  0.002  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.224
      RMS  PSI Viol :  1.279  2.115  1.794  0.753  0.311  1.516  0.662  0.760  2.159  1.977  2.149  0.627  1.086  2.947  0.030  1.089  1.372  0.780  0.246  0.000         1.423


 Final --global-- Summary for 20 models, 128 ACOs/model, 2560 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :     222.68
  Summ. Sq. Viol. :    2655.30
      Max.  Viol. :     23.578
      Avg.  Viol. :    0.08699
      RMS   Viol. :    1.01844
  Std. Dev. Viol. :    1.01472

JPEG image for inter-residue distance constraints per residue plot

S(phi)|S(psi) V/S Residue number

Text output from PDBStat of phi psi order


#     CHAIN                                                              .GT.  SUM.GT.
#  RES  ID DIH  S(phi)  S(psi)  S(chi1) S(chi2) S(chi3) S(chi4) S(chi5)  0.90     1.6 
#  ----------------------------------------------------------------------------------- 
   MET  A   1           0.121   0.530   0.429   0.345                                
   LEU  A   2   0.508   0.533   0.487   0.580                                        
   SER  A   3   0.637   0.385   0.424                                                
   GLN  A   4   0.759   0.412   0.406   0.571   0.803                                
   ALA  A   5   0.622   0.608                                                        
   ASN  A   6   0.991   0.996   0.999   0.876                               6        6 
   GLU  A   7   0.998   0.999   0.837   0.999   0.956                       7        7 
   ASP  A   8   0.996   0.998   0.683   0.787                               8        8 
   PHE  A   9   0.999   0.998   0.815   0.782                               9        9 
   LYS  A  10   0.999   0.999   0.908   0.996   0.870   0.929              10       10 
   LYS  A  11   0.999   0.998   0.999   0.948   0.952   0.999              11       11 
   ILE  A  12   0.998   0.999   0.954   1.000                              12       12 
   VAL  A  13   0.998   0.999   1.000                                      13       13 
   ASN  A  14   1.000   0.999   0.999   0.979                              14       14 
   ASN  A  15   0.999   0.999   0.908   0.993                              15       15 
   ILE  A  16   0.996   0.994   1.000   1.000                              16       16 
   ARG  A  17   0.991   0.988   0.690   0.532   0.994   0.715   0.999      17       17 
   LEU  A  18   0.997   0.995   0.992   0.987                              18       18 
   LYS  A  19   0.974   0.990   0.530   0.997   0.999   0.855              19       19 
   ASP  A  20   0.999   0.999   1.000   1.000                              20       20 
   THR  A  21   0.985   0.988   0.534                                      21       21 
   PHE  A  22   0.999   0.996   0.999   0.998                              22       22 
   ASP  A  23   0.991   0.986   0.868   0.938                              23       23 
   PHE  A  24   0.987   0.997   0.999   0.999                              24       24 
   LYS  A  25   0.996   0.998   0.999   0.992   0.317   0.992              25       25 
   LEU  A  26   0.999   0.997   0.988   0.988                              26       26 
   ALA  A  27   1.000   0.999                                              27       27 
   ALA  A  28   0.999   0.999                                              28       28 
   PHE  A  29   0.998   0.995   0.998   0.998                              29       29 
   PRO  A  30   0.997   0.985   0.982   0.967                              30       30 
   ASN  A  31   0.982   0.881   0.999   0.729                                       31 
   GLN  A  32   0.940   0.945   0.595   0.563   0.858                      32       32 
   ASN  A  33   0.941   0.939   0.710   0.864                              33       33 
   TYR  A  34   0.986   0.981   0.994   0.996                              34       34 
   ASP  A  35   0.975   0.983   0.454   0.921                              35       35 
   GLN  A  36   0.981   0.929   0.997   0.549   0.922                      36       36 
   LEU  A  37   0.936   0.989   0.706   0.734                              37       37 
   LEU  A  38   0.988   0.983   0.644   0.636                              38       38 
   PRO  A  39   0.995   0.996   0.980   0.967                              39       39 
   SER  A  40   1.000   1.000   0.632                                      40       40 
   GLN  A  41   1.000   1.000   0.999   0.765   0.942                      41       41 
   ILE  A  42   0.999   0.999   0.948   1.000                              42       42 
   TYR  A  43   1.000   0.999   0.998   0.973                              43       43 
   LYS  A  44   0.998   0.994   1.000   0.932   1.000   1.000              44       44 
   ASN  A  45   0.984   0.976   0.736   0.402                              45       45 
   TYR  A  46   0.999   0.999   0.751   0.984                              46       46 
   TYR  A  47   0.998   0.987   0.143   0.887                              47       47 
   GLN  A  48   0.989   0.989   0.703   0.563   0.721                      48       48 
   GLY  A  49   0.992   0.994                                              49       49 
   ILE  A  50   0.999   1.000   0.999   0.961                              50       50 
   GLU  A  51   0.998   0.999   0.537   0.999   1.000                      51       51 
   ILE  A  52   0.998   0.999   1.000   1.000                              52       52 
   GLN  A  53   0.998   0.980   0.561   0.382   0.723                      53       53 
   GLN  A  54   0.998   0.996   0.784   0.948   0.886                      54       54 
   HIS  A  55   0.992   0.896   0.864   0.451                                       55 
   LYS  A  56   0.954   0.876   0.619   0.462   0.686   0.508                       56 
   TYR  A  57   0.566   0.876   0.941   0.894                                        
   GLN  A  58   0.953   0.852   0.997   0.947   0.471                               58 
   ASN  A  59   0.802   0.993   0.721   0.886                                       59 
   GLU  A  60   0.988   0.995   0.799   0.592   0.821                      60       60 
   LEU  A  61   0.998   0.998   0.963   0.874                              61       61 
   ASP  A  62   0.997   0.986   0.996   0.948                              62       62 
   ILE  A  63   0.989   0.999   1.000   0.999                              63       63 
   LYS  A  64   0.999   0.966   1.000   1.000   1.000   0.936              64       64 
   ILE  A  65   0.979   0.997   1.000   1.000                              65       65 
   ILE  A  66   0.987   0.991   0.999   0.760                              66       66 
   ASN  A  67   0.983   0.997   0.645   0.848                              67       67 
   PHE  A  68   0.995   0.997   0.999   0.995                              68       68 
   LEU  A  69   0.999   0.996   1.000   1.000                              69       69 
   TYR  A  70   0.990   0.978   0.995   0.976                              70       70 
   PRO  A  71   0.986   0.406   0.912   0.861                                        
   ASP  A  72   0.353   0.859   0.859   0.898                                        
   GLY  A  73   0.838   0.636                                                        
   ASP  A  74   0.929   0.929   0.638   0.761                              74       74 
   PHE  A  75   0.995   0.997   0.998   0.301                              75       75 
   GLY  A  76   1.000   0.999                                              76       76 
   SER  A  77   1.000   0.999   0.403                                      77       77 
   ALA  A  78   1.000   1.000                                              78       78 
   ASN  A  79   1.000   0.998   0.940   0.957                              79       79 
   LYS  A  80   0.996   0.991   0.948   0.999   1.000   0.869              80       80 
   ASN  A  81   0.973   0.972   0.773   0.951                              81       81 
   GLY  A  82   0.991   0.984                                              82       82 
   THR  A  83   0.997   0.999   0.999                                      83       83 
   LEU  A  84   0.992   0.996   0.636   0.654                              84       84 
   LYS  A  85   0.999   0.996   0.999   0.993   0.868   0.995              85       85 
   LEU  A  86   0.998   0.999   0.956   0.513                              86       86 
   SER  A  87   0.998   0.998   0.487                                      87       87 
   LEU  A  88   0.997   0.997   0.997   0.926                              88       88 
   MET  A  89   0.999   0.999   0.999   1.000   0.932                      89       89 
   LEU  A  90   0.998   0.986   0.996   0.995                              90       90 
   THR  A  91   0.993   0.998   1.000                                      91       91 
   ASP  A  92   0.997   0.994   0.997   0.943                              92       92 
   LYS  A  93   0.995   0.985   0.999   0.865   0.767   0.997              93       93 
   LYS  A  94   0.975   0.985   0.681   0.454   0.999   0.996              94       94 
   ASN  A  95   0.982   0.997   0.999   0.986                              95       95 
   ASN  A  96   0.999   0.998   1.000   0.801                              96       96 
   GLN  A  97   0.997   0.999   1.000   1.000   1.000                      97       97 
   VAL  A  98   0.991   0.999   0.597                                      98       98 
   TYR  A  99   0.979   0.966   0.186   0.773                              99       99 
   TYR  A 100   0.987   0.983   0.998   0.997                             100      100 
   LYS  A 101   0.988   0.998   0.997   0.964   0.935   0.584             101      101 
   LEU  A 102   0.998   0.999   0.999   1.000                             102      102 
   LEU  A 103   0.998   0.994   0.995   0.965                             103      103 
   GLU  A 104   0.993   0.999   0.579   1.000   1.000                     104      104 
   VAL  A 105   0.998   0.998   0.999                                     105      105 
   SER  A 106   0.990   0.998   1.000                                     106      106 
   GLY  A 107   0.998   0.988                                             107      107 
   PHE  A 108   0.987   0.906   0.997   0.983                             108      108 
   LYS  A 109   0.880   0.844   0.719   0.526   0.924   0.860                      109 
   SER  A 110   0.894   0.954   0.731                                              110 
   ASN  A 111   0.995   0.989   0.937   0.721                             111      111 
   PRO  A 112   0.999   0.942   0.999   1.000                             112      112 
   TYR  A 113   0.874   0.991   0.994   0.400                                      113 
   LEU  A 114   0.982   0.965   0.999   0.997                             114      114 
   GLU  A 115   0.939   0.529   0.509   0.444   0.868                                
   HIS  A 116   0.649   0.646   0.731   0.888                                        
   HIS  A 117   0.850   0.506   0.295   0.398                                        
   HIS  A 118   0.768   0.607   0.444   0.714                                        
   HIS  A 119   0.546   0.347   0.489   0.674                                        
   HIS  A 120   0.617   0.336   0.176   0.799                                        
   HIS  A 121   0.888           0.746   0.556

JPEG image of S(phi)~Residue_number Plot

JPEG image of S(psi)~Residue_number Plot

Table of Backbone and Heavy Atom RMSD

Text report of backbone and heavy atom RMSD for ordered regions

 > 
 > Kabsch RMSD data for family `UUR17A_R3Cons_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  1 is: 0.781
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  2 is: 0.657
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  3 is: 0.814
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  4 is: 0.556
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  5 is: 1.266
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  6 is: 0.661
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  7 is: 0.729
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  8 is: 0.761
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  9 is: 0.578
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 10 is: 0.781
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 11 is: 1.096
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 12 is: 0.886
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 13 is: 0.740
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 14 is: 0.625
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 15 is: 0.936
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 16 is: 0.633
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 17 is: 0.694
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 18 is: 0.658
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 19 is: 0.616
 > Kabsch RMSD of backbone atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 20 is: 0.545 (*)
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[6..30],[32..54],[60..70],[74..108],[111..112], is: 0.751 
 > Range of RMSD values to reference struct. is 0.545 to 1.266 


 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  1 is: 1.181
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  2 is: 1.075
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  3 is: 1.241
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  4 is: 0.957
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  5 is: 1.715
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  6 is: 1.128
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  7 is: 1.093
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  8 is: 1.196
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model  9 is: 1.043
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 10 is: 1.264
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 11 is: 1.324
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 12 is: 1.198
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 13 is: 1.161
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 14 is: 1.058
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 15 is: 1.304
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 16 is: 1.060
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 17 is: 1.046
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 18 is: 1.120
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 19 is: 1.028
 > Kabsch RMSD of heavy atoms in res. A[6..30],A[32..54],A[60..70],A[74..108],A[111..112],for model 20 is: 0.929 (*)
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[6..30],[32..54],[60..70],[74..108],[111..112], is: 1.156 
 > Range of RMSD values to reference struct. is 0.929 to 1.715

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..121],for model  1 is: 2.447
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  2 is: 1.756
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  3 is: 2.221
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  4 is: 1.564
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  5 is: 3.618
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  6 is: 2.709
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  7 is: 1.728
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  8 is: 1.706
 > Kabsch RMSD of backb atoms in res. *[1..121],for model  9 is: 1.941
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 10 is: 1.401
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 11 is: 2.243
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 12 is: 1.948
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 13 is: 1.618
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 14 is: 2.124
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 15 is: 3.020
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 16 is: 2.580
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 17 is: 2.397
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 18 is: 3.243
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 19 is: 2.299
 > Kabsch RMSD of backb atoms in res. *[1..121],for model 20 is: 1.365 (*)
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..121], is: 2.196 
 > Range of RMSD values to reference struct. is 1.365 to 3.618

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  1 is: 2.910
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  2 is: 2.254
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  3 is: 2.691
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  4 is: 2.079
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  5 is: 3.898
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  6 is: 3.259
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  7 is: 2.231
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  8 is: 2.120
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model  9 is: 2.441
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 10 is: 1.977
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 11 is: 2.779
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 12 is: 2.382
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 13 is: 2.229
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 14 is: 2.507
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 15 is: 3.335
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 16 is: 2.970
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 17 is: 2.797
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 18 is: 3.630
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 19 is: 2.862
 > Kabsch RMSD of heavy atoms in res. *[1..121],for model 20 is: 1.838 (*)
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..121], is: 2.660 
 > Range of RMSD values to reference struct. is 1.838 to 3.898

Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues

RMSD Values
	all residues	ordered residues	selected residues
All backbone atoms	2.2	0.8	0.8
All heavy atoms	2.7	1.2	1.2

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

UUR17A_R3Cons_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

UUR17A_R3Cons_em_bcr3.pdb.jpg

Output from PROCHECK

Ramachandran Plot for all models

Text summary of Ramachandran Plot


 +----------<<<  P  R  O  C  H  E  C  K     S  U  M  M  A  R  Y  >>>----------+
 |                                                                            |
 | UUR17A_R3Cons_em_bcr3_020.rin   0.0                          2020 residues |
 |                                                                            |
 | Ramachandran plot:   90.7% core    9.3% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:   39 labelled residues (out of2020)                     |
+| Chi1-chi2 plots:     20 labelled residues (out of1600)                     |

JPEG image for all model Ramachandran Plot

Residue Properties for all models

JPEG for all model Residue Properties - page $num_n

Model Secondary Structures from Procheck

JPEG for Model Secondary Structures - page $num_n

Ramachandran Plots for each residue

JPEG for residue Ramachandran Plots - page $num_n

Ramachandran analysis for each residue from Molprobity

Chi1-Chi2 Plots for each residue

JPEG for residue Chi1-Chi2 Plots - page $num_n

Procheck G-factors for phi-psi for each residue

JPEG image for residue phi-psi G-factors

Table of Procheck G-factors for phi-psi for ordered residues

#phipsi_gfactor
#Residue\Model	average
6	0.75
7	0.96
8	1.06
9	1.02
10	1.15
11	1.13
12	0.96
13	0.95
14	0.51
15	0.51
16	-1.17
17	-0.19
18	-2.15
19	-3.14
20	0.62
21	-1.65
22	0.03
23	-1.03
24	-0.38
25	-0.25
26	-0.19
27	0.73
28	-0.31
29	-1.45
30	-0.22
31	-0.32
32	-0.91
33	-0.80
34	-0.58
35	0.06
36	-1.80
37	-0.23
38	-0.49
39	0.04
40	1.17
41	1.17
42	0.89
43	1.14
44	0.04
45	0.37
46	0.60
47	-0.06
48	-0.03
49	-1.85
50	0.31
51	-0.57
52	0.28
53	-0.46
54	-0.20
55	-1.83
60	-0.54
61	-0.68
62	-0.42
63	0.13
64	-0.61
65	-0.17
66	-1.57
67	-0.71
68	0.11
69	-0.46
70	-0.35
74	-0.59
75	0.15
76	1.19
77	1.11
78	0.88
79	1.07
80	0.50
81	-0.76
82	0.23
83	0.32
84	-1.06
85	-0.32
86	0.04
87	-1.51
88	-0.03
89	-0.18
90	-0.07
91	0.27
92	-0.07
93	-0.06
94	-0.91
95	-0.76
96	0.44
97	-0.69
98	0.37
99	0.20
100	0.17
101	-0.31
102	0.04
103	-0.16
104	-0.74
105	-0.04
106	-0.13
107	-1.68
108	-1.66
110	-1.59
111	-1.47
112	-2.39
113	-1.37
114	0.05
#Reported_Model_Average	-0.224
#Overall_Average_Reported	-0.224

Procheck G-factors for all dihedral angles for each residue

JPEG image for residue all dihedral G-factors

Table of Procheck G-factors for all dihedrals for ordered residues

#alldih_gfactor
#Residue\Model	average
6	0.72
7	0.40
8	0.80
9	0.06
10	0.44
11	0.92
12	0.88
13	0.85
14	0.31
15	0.76
16	-0.13
17	-0.11
18	-2.40
19	-1.25
20	0.88
21	-0.53
22	-0.32
23	-0.45
24	-0.41
25	0.22
26	-0.91
27	0.73
28	-0.31
29	-0.37
30	-0.22
31	0.17
32	-0.62
33	-0.04
34	-0.61
35	0.19
36	-0.50
37	0.06
38	-0.15
39	0.04
40	0.83
41	1.06
42	0.86
43	0.71
44	0.64
45	0.49
46	-0.05
47	0.18
48	0.20
49	-1.85
50	0.49
51	0.21
52	0.12
53	0.02
54	0.30
55	-0.39
60	-0.28
61	-1.83
62	-0.13
63	0.49
64	0.34
65	0.35
66	-0.42
67	-0.61
68	0.33
69	0.17
70	-0.62
74	-0.32
75	-0.09
76	1.19
77	0.76
78	0.88
79	1.08
80	0.15
81	0.12
82	0.23
83	0.34
84	-0.23
85	0.41
86	-0.12
87	-0.71
88	-0.64
89	0.18
90	-0.88
91	0.49
92	-0.10
93	0.14
94	-0.11
95	0.02
96	0.81
97	-0.19
98	0.09
99	-0.68
100	0.42
101	-0.47
102	0.42
103	0.22
104	0.17
105	-0.18
106	0.21
107	-1.68
108	-0.60
110	-0.87
111	-0.61
112	-2.39
113	-1.02
114	0.39
#Reported_Model_Average	-0.024
#Overall_Average_Reported	-0.024

Output from Verify3D

Verify3D Score over a window of $winsize_s residues

JPEG image for Verify3D Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
6	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32
7	0.62	0.62	0.60	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.62
8	0.44	-0.28	-0.28	-0.28	-0.28	0.29	0.29	-0.28	0.29	0.29	-0.28	0.29	-0.28	0.29	0.29	-0.28	0.29	0.29	0.29	0.29
9	-0.22	-1.35	0.87	-0.22	-1.81	-0.22	-0.22	-1.35	0.87	1.28	-1.35	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22
10	0.07	0.66	0.66	0.66	0.07	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66
11	0.07	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.07	0.66	0.66
12	0.55	0.55	1.11	-0.06	-0.02	0.55	0.55	1.11	0.55	-0.59	-0.02	0.55	1.11	-0.06	-0.02	-0.06	1.11	-0.59	0.55	0.55
13	0.74	0.74	0.30	0.74	0.30	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.41	0.74	0.74	0.74	0.74	0.74	0.74
14	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.58	-0.58	-0.02	-0.02	-0.02	-0.58	-0.02	-0.02	-0.02
15	0.41	-0.26	0.41	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	0.51	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	-0.26	0.51
16	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
17	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71
18	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
19	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47
20	0.23	0.51	0.23	0.51	0.51	0.51	0.23	0.51	0.23	0.23	0.51	0.23	0.23	0.51	0.23	0.23	0.51	0.51	0.23	0.23
21	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
22	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
23	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03
24	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
25	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.35
26	0.36	0.36	0.36	1.07	1.07	1.07	1.07	0.36	0.36	1.07	1.07	1.07	1.07	0.36	0.36	0.36	1.07	1.07	1.07	0.36
27	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	-0.25	0.14	0.14	0.49	0.14	-0.25	0.14	-0.25	-0.25	0.14	0.14	-0.25
28	-0.25	-0.25	0.49	0.49	0.49	0.49	-0.25	0.49	0.14	-0.25	0.14	0.49	-0.25	0.49	-0.25	0.49	0.14	-0.25	0.49	-0.25
29	0.71	-0.84	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	-0.84	-0.84	0.71	1.04	-1.29	0.71	0.71	0.71	0.71	0.71
30	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44
31	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
32	-0.57	0.10	0.25	0.25	-0.57	-0.87	0.25	-0.87	0.25	-0.87	0.10	0.25	0.25	0.25	-0.57	0.25	0.25	-0.84	-0.57	0.25
33	0.51	0.51	0.51	0.41	0.51	0.51	0.41	0.51	0.51	0.51	0.41	0.51	0.51	0.41	0.51	0.41	0.51	0.51	0.51	0.51
34	1.25	1.25	1.14	1.14	1.25	1.25	1.14	1.25	1.14	1.25	1.14	1.14	1.14	1.14	1.14	1.14	1.14	1.25	1.14	1.14
35	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
36	-0.03	0.25	0.25	-0.03	0.25	-0.03	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	0.25
37	0.77	0.77	0.77	0.77	1.06	1.06	0.77	0.77	0.77	0.77	0.77	0.77	1.06	0.77	0.77	0.77	1.06	0.29	1.06	0.77
38	-0.68	-0.68	-0.68	0.29	-0.68	0.29	0.29	0.29	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
39	-1.56	-1.56	-1.56	-1.56	-0.97	-1.56	-1.56	-0.97	-1.56	-0.97	-1.56	-0.41	-1.56	-0.97	-0.97	-1.56	-1.56	-1.56	-0.97	-1.56
40	-0.38	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.16	-0.38	0.47	-0.38	0.47	0.47	0.47	0.47	-0.38
41	-0.32	0.62	-0.32	-0.32	-0.32	-0.32	0.62	-0.32	-0.32	-0.32	0.62	0.62	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	0.62
42	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
43	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50
44	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.07	0.66	0.66	0.07	0.07	0.66	0.66	0.66	0.66
45	-0.26	-0.26	-2.61	-0.26	-0.26	-0.26	-0.26	-2.61	-2.61	-0.26	-0.26	-2.61	-0.26	-2.61	-2.61	-2.61	-2.61	-0.26	-2.61	-0.26
46	-0.43	1.25	-0.43	-0.43	1.14	-0.43	1.25	1.25	-0.43	1.25	1.25	-0.43	1.25	-0.43	1.25	1.25	1.25	-0.43	-0.43	1.25
47	-1.04	-1.04	-1.04	-0.43	-0.43	-0.43	-0.43	-0.43	-1.04	-0.43	-0.43	-1.04	-1.04	-0.43	-0.43	-1.04	-1.04	-0.43	-0.43	-1.04
48	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25
49	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
50	1.07	1.07	1.07	1.07	1.50	1.07	1.07	1.50	1.07	1.07	1.50	1.07	1.50	1.07	1.50	1.07	1.50	1.07	1.50	1.07
51	0.41	0.41	0.41	0.41	-0.37	0.41	0.41	0.41	0.41	0.41	-0.37	0.41	-0.37	0.41	0.41	0.41	0.41	0.41	0.41	0.41
52	1.07	1.07	1.07	1.50	1.07	1.50	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.50	1.50	1.07
53	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	-0.12	0.10	0.10	0.10	0.10	0.10	0.10	0.10
54	0.10	0.10	0.10	-2.38	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.52	-2.38	0.10	0.10
55	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	1.04	0.20	0.20	0.20	0.20	0.20	0.20	0.20
60	-1.13	-0.46	-1.13	-2.01	0.28	-1.13	0.28	-0.59	-1.13	-0.46	-0.46	-2.01	-0.59	-0.59	-1.13	-0.59	-1.13	-1.13	-0.46	-1.13
61	1.07	0.36	1.07	1.07	0.36	1.07	1.07	1.07	1.07	1.07	0.36	0.36	1.07	0.36	0.36	1.07	1.07	0.36	1.07	1.07
62	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.61
63	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
64	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
65	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
66	0.09	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	0.26	-0.35	-0.35	-0.35
67	-0.92	0.00	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	0.00	-0.92	-0.92	-0.92	-0.92	-0.92
68	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
69	-1.33	-0.81	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-0.81	-0.81	-1.33	-1.33	-1.33
70	1.14	0.52	1.25	1.14	1.14	1.14	1.14	1.14	1.14	1.14	1.25	1.14	1.14	1.14	1.25	1.14	1.14	1.14	1.14	1.14
74	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.23	0.51	0.51	0.23	0.34	0.51
75	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35
76	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
77	0.47	0.47	0.16	-0.38	-0.38	-0.38	-0.38	0.47	-0.38	-0.38	-0.38	0.47	-0.38	-0.38	0.47	-0.38	-0.38	-0.38	-0.38	-0.38
78	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
79	-0.07	-0.58	-0.58	-1.76	-0.58	-0.48	-0.48	-0.58	-0.48	-0.58	-0.58	-0.02	-0.02	-0.58	-0.58	-0.02	-0.58	-0.02	-0.58	-0.02
80	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
81	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02
82	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
83	0.95	0.95	0.95	0.95	0.79	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.79	0.95	0.95	0.95
84	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
85	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.55	0.55	0.35	0.35	0.35	0.35	0.55	0.35	0.35	0.35
86	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
87	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
88	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
89	0.49	-0.68	-0.68	-0.68	-0.68	-0.40	0.49	-0.68	-0.68	-0.68	-0.68	-0.68	-0.76	-0.68	-0.68	0.49	-0.68	-0.68	-0.76	-0.76
90	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
91	0.95	0.95	0.95	0.79	0.95	0.79	0.95	0.79	0.95	0.95	0.79	0.79	0.79	0.79	0.95	0.79	0.79	0.95	0.95	0.79
92	-0.61	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.61	-0.03	-0.61	-0.61	-0.03	-0.61	-0.61	-0.03	-0.61	-2.08	-0.61
93	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.08	0.47	0.47	0.47
94	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
95	-0.26	0.51	0.51	0.51	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.51	0.51	0.51	-0.26	-0.26	0.51	0.41	0.51	0.51
96	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
97	0.25	0.25	0.25	-0.03	-0.03	0.25	0.25	0.25	0.25	-0.03	-0.03	0.25	0.25	0.25	-0.03	-0.03	-0.03	-0.03	0.25	0.25
98	0.08	0.08	0.08	0.44	0.08	0.08	0.08	0.08	0.08	0.44	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
99	1.09	-0.30	-0.30	-0.30	-0.30	-0.30	1.30	-0.30	-0.30	1.09	-0.30	-0.30	1.09	1.09	1.09	-0.30	-0.30	-0.09	1.09	-0.30
100	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30
101	0.55	0.35	0.55	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.55	0.35	0.35	0.35	0.35	0.35	0.35
102	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33
103	0.36	0.36	0.14	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.14	0.36	0.36	0.36
104	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	-0.37	0.41	-0.37
105	1.18	0.71	1.18	1.18	0.44	0.71	1.18	0.44	0.71	1.18	0.71	0.71	1.18	0.44	0.71	0.71	0.71	1.18	0.71	1.18
106	0.65	0.49	0.65	0.65	0.65	0.65	0.65	0.65	0.65	0.49	0.65	0.49	0.65	0.65	0.65	0.65	0.65	0.65	0.65	0.65
107	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
108	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40
110	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.17	0.34	0.34
111	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26
112	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.44
113	-0.43	-1.04	-0.43	-0.43	-0.43	-1.04	-0.43	-0.43	-0.43	-0.43	-1.04	-0.43	-1.04	-0.43	-0.43	-0.43	-0.43	-1.04	-1.04	-0.43
114	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	0.29	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
#Reported_Model_Average	0.334	0.325	0.325	0.315	0.316	0.350	0.428	0.338	0.309	0.362	0.325	0.311	0.366	0.326	0.285	0.315	0.347	0.268	0.324	0.334
#Overall_Average_Reported	0.330

Output from ProsaII

ProsaII Score over a window of $winsize_s residues

JPEG image for ProsaII Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
6	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32	0.32
7	0.62	0.62	0.60	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.62
8	0.44	-0.28	-0.28	-0.28	-0.28	0.29	0.29	-0.28	0.29	0.29	-0.28	0.29	-0.28	0.29	0.29	-0.28	0.29	0.29	0.29	0.29
9	-0.22	-1.35	0.87	-0.22	-1.81	-0.22	-0.22	-1.35	0.87	1.28	-1.35	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22	-0.22
10	0.07	0.66	0.66	0.66	0.07	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66
11	0.07	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.07	0.66	0.66
12	0.55	0.55	1.11	-0.06	-0.02	0.55	0.55	1.11	0.55	-0.59	-0.02	0.55	1.11	-0.06	-0.02	-0.06	1.11	-0.59	0.55	0.55
13	0.74	0.74	0.30	0.74	0.30	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.41	0.74	0.74	0.74	0.74	0.74	0.74
14	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.58	-0.58	-0.02	-0.02	-0.02	-0.58	-0.02	-0.02	-0.02
15	0.41	-0.26	0.41	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	0.51	0.51	-0.26	0.51	0.51	0.51	0.51	0.51	-0.26	0.51
16	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
17	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71
18	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
19	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47
20	0.23	0.51	0.23	0.51	0.51	0.51	0.23	0.51	0.23	0.23	0.51	0.23	0.23	0.51	0.23	0.23	0.51	0.51	0.23	0.23
21	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
22	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
23	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03
24	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
25	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.35
26	0.36	0.36	0.36	1.07	1.07	1.07	1.07	0.36	0.36	1.07	1.07	1.07	1.07	0.36	0.36	0.36	1.07	1.07	1.07	0.36
27	0.14	0.14	-0.25	0.14	0.14	0.14	0.14	0.14	-0.25	0.14	0.14	0.49	0.14	-0.25	0.14	-0.25	-0.25	0.14	0.14	-0.25
28	-0.25	-0.25	0.49	0.49	0.49	0.49	-0.25	0.49	0.14	-0.25	0.14	0.49	-0.25	0.49	-0.25	0.49	0.14	-0.25	0.49	-0.25
29	0.71	-0.84	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	-0.84	-0.84	0.71	1.04	-1.29	0.71	0.71	0.71	0.71	0.71
30	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.44	0.25	0.44	0.44
31	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
32	-0.57	0.10	0.25	0.25	-0.57	-0.87	0.25	-0.87	0.25	-0.87	0.10	0.25	0.25	0.25	-0.57	0.25	0.25	-0.84	-0.57	0.25
33	0.51	0.51	0.51	0.41	0.51	0.51	0.41	0.51	0.51	0.51	0.41	0.51	0.51	0.41	0.51	0.41	0.51	0.51	0.51	0.51
34	1.25	1.25	1.14	1.14	1.25	1.25	1.14	1.25	1.14	1.25	1.14	1.14	1.14	1.14	1.14	1.14	1.14	1.25	1.14	1.14
35	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
36	-0.03	0.25	0.25	-0.03	0.25	-0.03	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	0.25
37	0.77	0.77	0.77	0.77	1.06	1.06	0.77	0.77	0.77	0.77	0.77	0.77	1.06	0.77	0.77	0.77	1.06	0.29	1.06	0.77
38	-0.68	-0.68	-0.68	0.29	-0.68	0.29	0.29	0.29	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
39	-1.56	-1.56	-1.56	-1.56	-0.97	-1.56	-1.56	-0.97	-1.56	-0.97	-1.56	-0.41	-1.56	-0.97	-0.97	-1.56	-1.56	-1.56	-0.97	-1.56
40	-0.38	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.16	-0.38	0.47	-0.38	0.47	0.47	0.47	0.47	-0.38
41	-0.32	0.62	-0.32	-0.32	-0.32	-0.32	0.62	-0.32	-0.32	-0.32	0.62	0.62	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	-0.32	0.62
42	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
43	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50
44	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.07	0.66	0.66	0.07	0.07	0.66	0.66	0.66	0.66
45	-0.26	-0.26	-2.61	-0.26	-0.26	-0.26	-0.26	-2.61	-2.61	-0.26	-0.26	-2.61	-0.26	-2.61	-2.61	-2.61	-2.61	-0.26	-2.61	-0.26
46	-0.43	1.25	-0.43	-0.43	1.14	-0.43	1.25	1.25	-0.43	1.25	1.25	-0.43	1.25	-0.43	1.25	1.25	1.25	-0.43	-0.43	1.25
47	-1.04	-1.04	-1.04	-0.43	-0.43	-0.43	-0.43	-0.43	-1.04	-0.43	-0.43	-1.04	-1.04	-0.43	-0.43	-1.04	-1.04	-0.43	-0.43	-1.04
48	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25
49	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
50	1.07	1.07	1.07	1.07	1.50	1.07	1.07	1.50	1.07	1.07	1.50	1.07	1.50	1.07	1.50	1.07	1.50	1.07	1.50	1.07
51	0.41	0.41	0.41	0.41	-0.37	0.41	0.41	0.41	0.41	0.41	-0.37	0.41	-0.37	0.41	0.41	0.41	0.41	0.41	0.41	0.41
52	1.07	1.07	1.07	1.50	1.07	1.50	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.50	1.50	1.07
53	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	-0.12	0.10	0.10	0.10	0.10	0.10	0.10	0.10
54	0.10	0.10	0.10	-2.38	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.10	0.52	-2.38	0.10	0.10
55	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	1.04	0.20	0.20	0.20	0.20	0.20	0.20	0.20
60	-1.13	-0.46	-1.13	-2.01	0.28	-1.13	0.28	-0.59	-1.13	-0.46	-0.46	-2.01	-0.59	-0.59	-1.13	-0.59	-1.13	-1.13	-0.46	-1.13
61	1.07	0.36	1.07	1.07	0.36	1.07	1.07	1.07	1.07	1.07	0.36	0.36	1.07	0.36	0.36	1.07	1.07	0.36	1.07	1.07
62	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.61
63	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
64	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
65	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
66	0.09	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	-0.35	0.26	-0.35	-0.35	-0.35
67	-0.92	0.00	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	-0.92	0.00	-0.92	-0.92	-0.92	-0.92	-0.92
68	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96
69	-1.33	-0.81	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-0.81	-0.81	-1.33	-1.33	-1.33
70	1.14	0.52	1.25	1.14	1.14	1.14	1.14	1.14	1.14	1.14	1.25	1.14	1.14	1.14	1.25	1.14	1.14	1.14	1.14	1.14
74	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.23	0.51	0.51	0.23	0.34	0.51
75	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35	-1.35
76	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
77	0.47	0.47	0.16	-0.38	-0.38	-0.38	-0.38	0.47	-0.38	-0.38	-0.38	0.47	-0.38	-0.38	0.47	-0.38	-0.38	-0.38	-0.38	-0.38
78	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
79	-0.07	-0.58	-0.58	-1.76	-0.58	-0.48	-0.48	-0.58	-0.48	-0.58	-0.58	-0.02	-0.02	-0.58	-0.58	-0.02	-0.58	-0.02	-0.58	-0.02
80	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
81	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02
82	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
83	0.95	0.95	0.95	0.95	0.79	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.79	0.95	0.95	0.95
84	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
85	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.55	0.55	0.35	0.35	0.35	0.35	0.55	0.35	0.35	0.35
86	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
87	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
88	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
89	0.49	-0.68	-0.68	-0.68	-0.68	-0.40	0.49	-0.68	-0.68	-0.68	-0.68	-0.68	-0.76	-0.68	-0.68	0.49	-0.68	-0.68	-0.76	-0.76
90	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
91	0.95	0.95	0.95	0.79	0.95	0.79	0.95	0.79	0.95	0.95	0.79	0.79	0.79	0.79	0.95	0.79	0.79	0.95	0.95	0.79
92	-0.61	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.61	-0.03	-0.61	-0.61	-0.03	-0.61	-0.61	-0.03	-0.61	-2.08	-0.61
93	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.08	0.47	0.47	0.47
94	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
95	-0.26	0.51	0.51	0.51	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.51	0.51	0.51	-0.26	-0.26	0.51	0.41	0.51	0.51
96	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
97	0.25	0.25	0.25	-0.03	-0.03	0.25	0.25	0.25	0.25	-0.03	-0.03	0.25	0.25	0.25	-0.03	-0.03	-0.03	-0.03	0.25	0.25
98	0.08	0.08	0.08	0.44	0.08	0.08	0.08	0.08	0.08	0.44	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
99	1.09	-0.30	-0.30	-0.30	-0.30	-0.30	1.30	-0.30	-0.30	1.09	-0.30	-0.30	1.09	1.09	1.09	-0.30	-0.30	-0.09	1.09	-0.30
100	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30
101	0.55	0.35	0.55	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.55	0.35	0.35	0.35	0.35	0.35	0.35
102	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33	-1.33
103	0.36	0.36	0.14	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.14	0.36	0.36	0.36
104	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	-0.37	0.41	-0.37
105	1.18	0.71	1.18	1.18	0.44	0.71	1.18	0.44	0.71	1.18	0.71	0.71	1.18	0.44	0.71	0.71	0.71	1.18	0.71	1.18
106	0.65	0.49	0.65	0.65	0.65	0.65	0.65	0.65	0.65	0.49	0.65	0.49	0.65	0.65	0.65	0.65	0.65	0.65	0.65	0.65
107	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
108	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40
110	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.17	0.34	0.34
111	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26
112	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.44	0.44	0.44	0.44
113	-0.43	-1.04	-0.43	-0.43	-0.43	-1.04	-0.43	-0.43	-0.43	-0.43	-1.04	-0.43	-1.04	-0.43	-0.43	-0.43	-0.43	-1.04	-1.04	-0.43
114	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	0.29	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
#Reported_Model_Average	0.334	0.325	0.325	0.315	0.316	0.350	0.428	0.338	0.309	0.362	0.325	0.311	0.366	0.326	0.285	0.315	0.347	0.268	0.324	0.334
#Overall_Average_Reported	0.330

Output from MolProbity

VdW violations from MAGE

JPEG image for MAGE VdW violation

Table of MAGE VdW violations for ordered residues across all models

#mage_clash
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
6.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
7.000	0	1	0	0	0	1	0	0	1	1	0	0	0	1	1	0	0	0	0	0
8.000	0	0	0	0	1	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0
9.000	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0
10.000	0	1	0	0	0	1	0	0	1	1	0	0	0	1	1	0	0	0	0	0
11.000	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
12.000	1	0	0	1	2	0	0	0	0	0	2	0	1	0	0	1	1	0	2	1
13.000	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0	1	1
14.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
15.000	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
16.000	1	0	0	1	1	0	0	0	0	0	1	0	0	0	0	2	1	0	0	2
17.000	0	0	1	1	1	1	0	1	0	0	0	0	0	1	0	1	1	0	0	1
18.000	5	2	4	0	4	0	0	2	0	2	1	2	0	0	1	0	0	0	0	0
19.000	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
20.000	0	0	1	1	1	1	0	2	0	0	0	0	0	1	0	1	1	0	0	1
21.000	1	1	1	0	2	1	0	0	1	1	0	0	1	1	1	0	0	0	1	1
22.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
23.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
24.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
25.000	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0
26.000	0	2	0	0	0	0	0	0	1	0	0	0	0	0	0	2	0	1	1	0
27.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
28.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
29.000	1	0	0	1	0	1	1	0	0	1	1	0	0	0	0	0	0	0	0	0
30.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
31.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
32.000	1	2	0	1	0	2	1	1	0	5	1	0	0	0	0	0	0	3	0	0
33.000	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0
34.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
35.000	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
36.000	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
37.000	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	2	0	0
38.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
39.000	0	0	0	0	0	0	0	0	1	0	0	0	1	0	1	0	0	2	2	1
40.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
41.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
42.000	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0
43.000	1	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	1
44.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
45.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
46.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
47.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
48.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
49.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
50.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
51.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
52.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
53.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
54.000	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0
55.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
60.000	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
61.000	0	3	0	0	4	1	5	3	1	2	1	0	2	0	0	1	3	0	3	0
62.000	0	0	0	1	0	2	0	0	0	0	0	0	0	0	0	0	2	0	1	0
63.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
64.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
65.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
66.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0
67.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
68.000	1	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	1
69.000	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	1	1	1	0	0
70.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
74.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
75.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
76.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
77.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
78.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
79.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
80.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
81.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
82.000	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
83.000	1	0	1	0	1	0	0	0	0	1	0	1	1	0	0	1	0	1	0	0
84.000	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	1	1	1
85.000	1	0	0	0	2	0	0	0	0	2	0	0	0	0	0	1	1	1	0	0
86.000	1	0	0	0	0	0	0	0	0	0	1	0	0	2	2	0	0	0	2	0
87.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
88.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0
89.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0
90.000	0	1	2	1	3	0	0	0	2	1	1	1	0	0	1	1	3	0	1	1
91.000	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	1	0	2	0
92.000	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0	0	0
93.000	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0
94.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
95.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
96.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
97.000	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0	0	0
98.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
99.000	0	1	0	1	2	0	0	0	0	1	1	1	0	0	1	1	1	0	1	1
100.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
101.000	0	0	1	0	1	0	0	2	0	2	0	0	2	0	2	0	0	0	0	0
102.000	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
103.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
104.000	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
105.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
106.000	1	0	1	0	1	0	0	0	0	1	0	1	1	0	0	1	0	1	0	0
107.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
108.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0
110.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
111.000	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	1	0	0
112.000	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0
113.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
114.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
#Reported_Model_Average	0.168	0.168	0.188	0.119	0.317	0.149	0.079	0.158	0.119	0.277	0.149	0.059	0.129	0.109	0.149	0.188	0.307	0.168	0.238	0.168
#Overall_Average_Reported	0.170

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  18 LEU 2HD1 :A  18 LEU  C   :   -0.708:        0
:  1999:A  18 LEU  C   :A  18 LEU  CD1 :   -0.532:        0
:  1999:A  86 LEU 1HD1 :A  18 LEU 3HD2 :   -0.440:        0

:  1999:A  32 GLN 1HB  :A  29 PHE 2HB  :   -0.493:        0

:  1999:A  56 LYS  CG  :A  21 THR  HA  :   -0.487:        0

:  1999:A 106 SER  CB  :A  83 THR 2HG2 :   -0.456:        0

:  1999:A  68 PHE 1HB  :A  43 TYR  HA  :   -0.427:        0

:  1999:A  85 LYS 1HB  :A  69 LEU 1HB  :   -0.411:        0

:  1999:A  16 ILE 2HG1 :A  12 ILE  O   :   -0.400:        0
#sum2 ::4.50 clashscore : 4.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224457 potential dots:14030.0 A^2:9 bumps:9 bumps B<40:648.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  32 GLN  OE1 :A  32 GLN  C   :   -0.646:        0

:  1999:A  61 LEU 2HD1 :A  61 LEU  O   :   -0.530:        0
:  1999:A  61 LEU  O   :A  58 GLN  HA  :   -0.479:        0

:  1999:A  56 LYS 2HB  :A  21 THR  HA  :   -0.472:        0

:  1999:A  92 ASP 2HB  :A  97 GLN  H   :   -0.450:        0

:  1999:A  18 LEU 2HD1 :A  18 LEU  C   :   -0.427:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.425:        0

:  1999:A  82 GLY 2HA  :A 109 LYS  O   :   -0.419:        0
:  1999:A 109 LYS 1HD  :A 109 LYS  HA  :   -0.418:        0

:  1999:A  26 LEU 3HD1 :A  26 LEU  HA  :   -0.406:        0

:  1999:A   7 GLU  O   :A  10 LYS 1HG  :   -0.401:        0
#sum2 ::5.50 clashscore : 5.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224198 potential dots:14010.0 A^2:11 bumps:11 bumps B<40:683.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  18 LEU 2HD1 :A  18 LEU  C   :   -0.543:        0
:  1999:A  18 LEU  C   :A  18 LEU  CD1 :   -0.402:        0

:  1999:A 106 SER  CB  :A  83 THR 2HG2 :   -0.466:        0

:  1999:A  17 ARG 2HB  :A  20 ASP 1HB  :   -0.446:        0

:  1999:A  21 THR  HA  :A  56 LYS 1HB  :   -0.438:        0

:  1999:A  68 PHE 1HB  :A  43 TYR  HA  :   -0.434:        0

:  1999:A 102 LEU 3HD2 :A  87 SER  HA  :   -0.421:        0

:  1999:A  90 LEU 3HD1 :A  90 LEU  HA  :   -0.421:        0

:  1999:A  13 VAL 2HG1 :A 101 LYS 2HD  :   -0.417:        0

:  1999:A  67 ASN  HA  :A  46 TYR 1HB  :   -0.401:        0
#sum2 ::5.00 clashscore : 5.00 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224483 potential dots:14030.0 A^2:10 bumps:10 bumps B<40:673.7 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A   5 ALA 2HB  :A   4 GLN  O   :   -0.515:        0
:  1999:A   3 SER  O   :A   4 GLN 1HB  :   -0.407:        0

:  1999:A  20 ASP 1HB  :A  17 ARG 1HB  :   -0.465:        0

:  1999:A  58 GLN  NE2 :A  58 GLN  HA  :   -0.460:        0

:  1999:A  57 TYR  H   :A  56 LYS 2HB  :   -0.429:        0

:  1999:A  62 ASP 2HB  :A  91 THR  HB  :   -0.422:        0

:  1999:A  54 GLN  H   :A  54 GLN 1HG  :   -0.420:        0

:  1999:A  32 GLN 1HB  :A  29 PHE 2HB  :   -0.413:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.410:        0

:  1999:A  12 ILE  O   :A  16 ILE 2HG1 :   -0.407:        0
#sum2 ::5.00 clashscore : 5.00 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224347 potential dots:14020.0 A^2:10 bumps:10 bumps B<40:690.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  11 LYS 2HE  :A  11 LYS  HA  :   -0.545:        0

:  1999:A  18 LEU  C   :A  18 LEU  CD1 :   -0.508:        0
:  1999:A  18 LEU 2HD1 :A  18 LEU  C   :   -0.403:        0

:  1999:A  56 LYS 2HG  :A  21 THR  HA  :   -0.498:        0
:  1999:A  56 LYS  CG  :A  21 THR  HA  :   -0.408:        0

:  1999:A  99 TYR  CE2 :A 101 LYS 1HB  :   -0.489:        0
:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.467:        0
:  1999:A  90 LEU 2HD2 :A  90 LEU  N   :   -0.418:        0

:  1999:A  61 LEU  N   :A  61 LEU 3HD2 :   -0.470:        0
:  1999:A  61 LEU 3HD2 :A  61 LEU  H   :   -0.439:        0

:  1999:A  12 ILE  O   :A  16 ILE 2HG1 :   -0.446:        0
:  1999:A   8 ASP  O   :A  12 ILE 2HG1 :   -0.434:        0

:  1999:A 106 SER  CB  :A  83 THR 2HG2 :   -0.442:        0

:  1999:A  85 LYS 1HG  :A 104 GLU 1HG  :   -0.441:        0
:  1999:A  85 LYS 1HB  :A  69 LEU 1HB  :   -0.414:        0

:  1999:A  20 ASP 1HB  :A  17 ARG 1HB  :   -0.429:        0

:  1999:A  15 ASN  OD1 :A  15 ASN  C   :   -0.413:        0
#sum2 ::8.50 clashscore : 8.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224247 potential dots:14020.0 A^2:17 bumps:17 bumps B<40:619.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  20 ASP 1HB  :A  17 ARG 1HB  :   -0.536:        0

:  1999:A  56 LYS  CG  :A  21 THR  HA  :   -0.502:        0
:  1999:A  58 GLN  NE2 :A  58 GLN  HA  :   -0.489:        0
:  1999:A  56 LYS  O   :A  58 GLN  N   :   -0.447:        0

:  1999:A  62 ASP 2HB  :A  91 THR  HB  :   -0.495:        0
:  1999:A  62 ASP 1HB  :A  93 LYS 1HE  :   -0.457:        0

:  1999:A  32 GLN 2HG  :A  25 LYS 2HG  :   -0.478:        0
:  1999:A  32 GLN 2HB  :A  29 PHE 2HB  :   -0.471:        0

:  1999:A  10 LYS 1HG  :A   7 GLU  O   :   -0.467:        0

:  1999:A  60 GLU 2HB  :A  61 LEU 3HD2 :   -0.437:        0
#sum2 ::5.00 clashscore : 5.00 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224521 potential dots:14030.0 A^2:10 bumps:10 bumps B<40:684.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A 111 ASN 2HB  :A 115 GLU 1HG  :   -0.539:        0

:  1999:A  61 LEU  N   :A  61 LEU 3HD2 :   -0.483:        0
:  1999:A  61 LEU  O   :A  58 GLN  HA  :   -0.411:        0
:  1999:A  61 LEU  H   :A  61 LEU 3HD2 :   -0.408:        0

:  1999:A  32 GLN 1HB  :A  29 PHE 2HB  :   -0.459:        0
#sum2 ::2.50 clashscore : 2.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224552 potential dots:14030.0 A^2:5 bumps:5 bumps B<40:708.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  17 ARG 2HB  :A  20 ASP 1HB  :   -0.559:        0
:  1999:A  20 ASP  N   :A  19 LYS 2HG  :   -0.401:        0

:  1999:A  18 LEU 2HD1 :A  18 LEU  C   :   -0.544:        0

:  1999:A  32 GLN 1HB  :A  37 LEU 2HD2 :   -0.503:        0
:  1999:A  42 ILE 1HG1 :A  37 LEU 3HD2 :   -0.464:        0

:  1999:A 101 LYS 2HE  :A 101 LYS  HA  :   -0.492:        0

:  1999:A   8 ASP 2HB  :A   2 LEU  HG  :   -0.452:        0

:  1999:A  61 LEU  O   :A  58 GLN  HA  :   -0.440:        0
:  1999:A  61 LEU  O   :A  61 LEU  HG  :   -0.420:        0

:  1999:A   5 ALA 2HB  :A   4 GLN  O   :   -0.438:        0
:  1999:A   4 GLN 1HB  :A   3 SER  O   :   -0.411:        0
#sum2 ::5.50 clashscore : 5.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224322 potential dots:14020.0 A^2:11 bumps:11 bumps B<40:667.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  61 LEU  O   :A  58 GLN  HA  :   -0.500:        0

:  1999:A  68 PHE 1HB  :A  43 TYR  HA  :   -0.475:        0

:  1999:A  21 THR  HA  :A  56 LYS 1HB  :   -0.472:        0

:  1999:A 118 HIS  O   :A 119 HIS 1HB  :   -0.442:        0

:  1999:A   3 SER 1HB  :A   2 LEU  O   :   -0.437:        0
:  1999:A   2 LEU  O   :A   3 SER  CB  :   -0.415:        0

:  1999:A  90 LEU 3HD1 :A  90 LEU  HA  :   -0.428:        0

:  1999:A  42 ILE 3HG2 :A  26 LEU 1HD1 :   -0.413:        0

:  1999:A  10 LYS 1HG  :A   7 GLU  O   :   -0.411:        0

:  1999:A  38 LEU 2HD1 :A  39 PRO 1HD  :   -0.401:        0
#sum2 ::5.00 clashscore : 5.00 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224483 potential dots:14030.0 A^2:10 bumps:10 bumps B<40:739.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  32 GLN  OE1 :A  32 GLN  C   :   -0.728:        0
:  1999:A  32 GLN  OE1 :A  32 GLN  O   :   -0.532:        0
:  1999:A  29 PHE  O   :A  32 GLN 2HG  :   -0.466:        0

:  1999:A  36 GLN 1HG  :A  33 ASN 2HB  :   -0.565:        0

:  1999:A 101 LYS 2HE  :A 101 LYS  HA  :   -0.531:        0

:  1999:A  18 LEU 2HD1 :A  18 LEU  C   :   -0.520:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.513:        0

:  1999:A  61 LEU 2HD1 :A  61 LEU  O   :   -0.510:        0

:  1999:A   9 PHE  H   :A   5 ALA  HA  :   -0.479:        0

:  1999:A 106 SER  CB  :A  83 THR 2HG2 :   -0.457:        0

:  1999:A  56 LYS  CG  :A  21 THR  HA  :   -0.436:        0

:  1999:A  85 LYS 1HB  :A  69 LEU 1HB  :   -0.435:        0
:  1999:A  85 LYS 1HG  :A 104 GLU 1HG  :   -0.416:        0

:  1999:A  68 PHE 1HB  :A  43 TYR  HA  :   -0.400:        0

:  1999:A  10 LYS 1HG  :A   7 GLU  O   :   -0.400:        0
#sum2 ::7.50 clashscore : 7.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224639 potential dots:14040.0 A^2:15 bumps:15 bumps B<40:654 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  12 ILE 3HD1 :A   1 MET 2HB  :   -0.518:        0
:  1999:A  57 TYR 1HB  :A   1 MET  CG  :   -0.482:        0
:  1999:A   1 MET 1HG  :A  57 TYR 1HB  :   -0.437:        0
:  1999:A  12 ILE 1HG2 :A   1 MET 2HB  :   -0.433:        0
:  1999:A  61 LEU 1HD2 :A   1 MET 1HB  :   -0.429:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.455:        0

:  1999:A  92 ASP 2HB  :A  97 GLN  H   :   -0.451:        0

:  1999:A  32 GLN 2HB  :A  29 PHE 2HB  :   -0.445:        0

:  1999:A  33 ASN 2HB  :A  35 ASP  OD1 :   -0.418:        0

:  1999:A  86 LEU 1HD2 :A  18 LEU 3HD2 :   -0.417:        0

:  1999:A  13 VAL  HA  :A  16 ILE  CD1 :   -0.404:        0
#sum2 ::5.50 clashscore : 5.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224514 potential dots:14030.0 A^2:11 bumps:11 bumps B<40:678 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  18 LEU 2HD1 :A  18 LEU  C   :   -0.528:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.463:        0

:  1999:A 106 SER 1HB  :A  83 THR 2HG2 :   -0.441:        0
#sum2 ::1.50 clashscore : 1.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224332 potential dots:14020.0 A^2:3 bumps:3 bumps B<40:674.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A 101 LYS  HA  :A 101 LYS 1HE  :   -0.585:        0

:  1999:A  61 LEU  N   :A  61 LEU 3HD2 :   -0.475:        0

:  1999:A  12 ILE 1HG1 :A   1 MET  SD  :   -0.464:        0

:  1999:A 120 HIS 1HB  :A 119 HIS  O   :   -0.451:        0

:  1999:A  56 LYS  O   :A  58 GLN  N   :   -0.431:        0
:  1999:A  56 LYS  O   :A  57 TYR  C   :   -0.412:        0
:  1999:A  21 THR  HA  :A  56 LYS 1HG  :   -0.400:        0

:  1999:A   8 ASP 1HB  :A   5 ALA 3HB  :   -0.427:        0

:  1999:A 106 SER  CB  :A  83 THR 2HG2 :   -0.415:        0

:  1999:A  84 LEU 3HD1 :A  39 PRO 2HB  :   -0.407:        0

:  1999:A  66 ILE 1HD1 :A  89 MET 1HB  :   -0.405:        0
#sum2 ::5.50 clashscore : 5.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224250 potential dots:14020.0 A^2:11 bumps:11 bumps B<40:695.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A   5 ALA 2HB  :A   4 GLN  O   :   -0.581:        0
:  1999:A   4 GLN  O   :A   5 ALA  CB  :   -0.429:        0

:  1999:A  20 ASP 1HB  :A  17 ARG 1HB  :   -0.556:        0

:  1999:A  58 GLN  NE2 :A  58 GLN  HA  :   -0.496:        0

:  1999:A  84 LEU 2HB  :A 108 PHE  CE1 :   -0.482:        0

:  1999:A  56 LYS 2HG  :A  21 THR  HA  :   -0.482:        0

:  1999:A 111 ASN  N   :A 112 PRO  CD  :   -0.479:        0

:  1999:A  86 LEU  N   :A  86 LEU 2HD1 :   -0.443:        0

:  1999:A  10 LYS 1HG  :A   7 GLU  O   :   -0.432:        0
#sum2 ::4.50 clashscore : 4.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224433 potential dots:14030.0 A^2:9 bumps:9 bumps B<40:612.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  58 GLN  NE2 :A  58 GLN  HA  :   -0.623:        0
:  1999:A  58 GLN  NE2 :A  58 GLN  CA  :   -0.454:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.512:        0

:  1999:A 101 LYS 2HE  :A 101 LYS  HA  :   -0.512:        0

:  1999:A  84 LEU 3HD1 :A  39 PRO 2HB  :   -0.456:        0

:  1999:A  86 LEU 1HD2 :A  18 LEU 3HD2 :   -0.437:        0
:  1999:A  86 LEU 2HB  :A  88 LEU  CD1 :   -0.412:        0

:  1999:A 112 PRO  HA  :A  80 LYS 1HB  :   -0.415:        0

:  1999:A   7 GLU  HA  :A  10 LYS 1HG  :   -0.404:        0

:  1999:A  56 LYS  CG  :A  21 THR  HA  :   -0.402:        0
#sum2 ::5.00 clashscore : 5.00 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224515 potential dots:14030.0 A^2:10 bumps:10 bumps B<40:607.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  92 ASP 2HB  :A  97 GLN  H   :   -0.480:        0

:  1999:A  12 ILE  O   :A  16 ILE 2HG1 :   -0.467:        0
:  1999:A  13 VAL  HA  :A  16 ILE  CD1 :   -0.443:        0

:  1999:A 116 HIS 1HB  :A 115 GLU  O   :   -0.457:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.445:        0

:  1999:A  20 ASP 1HB  :A  17 ARG 1HB  :   -0.442:        0

:  1999:A 106 SER  CB  :A  83 THR 2HG2 :   -0.436:        0

:  1999:A  26 LEU  N   :A  26 LEU 2HD2 :   -0.425:        0

:  1999:A  85 LYS 1HB  :A  69 LEU 1HB  :   -0.419:        0

:  1999:A  82 GLY 2HA  :A 109 LYS  O   :   -0.416:        0

:  1999:A  61 LEU  HA  :A  91 THR  O   :   -0.406:        0
#sum2 ::5.50 clashscore : 5.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224435 potential dots:14030.0 A^2:11 bumps:11 bumps B<40:680 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  54 GLN 2HB  :A  58 GLN 2HG  :   -0.754:        0
:  1999:A  54 GLN 2HG  :A  52 ILE 2HG2 :   -0.482:        0
:  1999:A  61 LEU  O   :A  58 GLN  HA  :   -0.439:        0
:  1999:A  61 LEU 2HD1 :A  61 LEU  O   :   -0.422:        0

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.553:        0
:  1999:A  90 LEU 2HD2 :A  90 LEU  N   :   -0.438:        0

:  1999:A  20 ASP 1HB  :A  17 ARG 1HB  :   -0.508:        0

:  1999:A  62 ASP 2HB  :A  91 THR  HB  :   -0.440:        0

:  1999:A  88 LEU 2HD2 :A 103 LEU 2HD1 :   -0.440:        0

:  1999:A  62 ASP 1HB  :A  93 LYS 1HE  :   -0.423:        0

:  1999:A  66 ILE 1HD1 :A  89 MET 1HB  :   -0.437:        0

:  1999:A   2 LEU 2HB  :A  12 ILE 1HD1 :   -0.430:        0

:  1999:A  85 LYS 1HB  :A  69 LEU 1HB  :   -0.422:        0

:  1999:A  13 VAL  HA  :A  16 ILE  CD1 :   -0.419:        0

:  1999:A 102 LEU 3HD2 :A  87 SER  HA  :   -0.408:        0

:  1999:A  27 ALA  H   :A  45 ASN 1HD2 :   -0.407:        0

:  1999:A  97 GLN  H   :A  92 ASP 2HB  :   -0.405:        0
#sum2 ::8.50 clashscore : 8.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224258 potential dots:14020.0 A^2:17 bumps:17 bumps B<40:627.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A   2 LEU  C   :A   1 MET  O   :   -0.625:        0

:  1999:A  37 LEU  CD2 :A  32 GLN 1HG  :   -0.511:        0
:  1999:A  26 LEU 3HD2 :A  32 GLN 2HG  :   -0.482:        0
:  1999:A  37 LEU 2HD2 :A  32 GLN 1HG  :   -0.425:        0

:  1999:A  39 PRO  HA  :A  84 LEU 1HD1 :   -0.466:        0
:  1999:A 108 PHE 1HB  :A  39 PRO 2HG  :   -0.408:        0

:  1999:A 106 SER  CB  :A  83 THR 2HG2 :   -0.436:        0

:  1999:A  85 LYS 1HB  :A  69 LEU 1HB  :   -0.428:        0

:  1999:A  58 GLN  NE2 :A  58 GLN  HA  :   -0.420:        0

:  1999:A  25 LYS 2HD  :A  30 PRO  HA  :   -0.414:        0

:  1999:A 115 GLU 2HG  :A 111 ASN 2HB  :   -0.413:        0
#sum2 ::5.50 clashscore : 5.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224314 potential dots:14020.0 A^2:11 bumps:11 bumps B<40:685.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  54 GLN 2HB  :A  58 GLN 2HG  :   -0.541:        0

:  1999:A  39 PRO  HA  :A  84 LEU 1HD1 :   -0.489:        0
:  1999:A 108 PHE 1HB  :A  39 PRO 2HG  :   -0.421:        0

:  1999:A   9 PHE  O   :A  12 ILE 2HG2 :   -0.472:        0
:  1999:A  13 VAL  N   :A  12 ILE  CG2 :   -0.431:        0

:  1999:A  62 ASP 2HB  :A  91 THR  HB  :   -0.462:        0
:  1999:A  61 LEU  HA  :A  91 THR  O   :   -0.428:        0
:  1999:A  61 LEU  N   :A  61 LEU 3HD2 :   -0.423:        0

:  1999:A  86 LEU  CD1 :A  86 LEU  N   :   -0.456:        0

:  1999:A  68 PHE 1HB  :A  43 TYR  HA  :   -0.443:        0

:  1999:A  99 TYR 1HB  :A  90 LEU 1HB  :   -0.429:        0

:  1999:A  56 LYS  CG  :A  21 THR  HA  :   -0.419:        0

:  1999:A  42 ILE 3HG2 :A  26 LEU 1HD1 :   -0.404:        0
#sum2 ::6.50 clashscore : 6.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224549 potential dots:14030.0 A^2:13 bumps:13 bumps B<40:692.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1999:A  90 LEU 1HB  :A  99 TYR 2HB  :   -0.491:        0

:  1999:A  67 ASN  HA  :A  46 TYR 1HB  :   -0.474:        0

:  1999:A  21 THR  HB  :A  56 LYS 1HG  :   -0.471:        0

:  1999:A  20 ASP 1HB  :A  17 ARG 1HB  :   -0.457:        0

:  1999:A  68 PHE 1HB  :A  43 TYR  HA  :   -0.456:        0

:  1999:A  39 PRO  HA  :A  84 LEU 1HD1 :   -0.435:        0

:  1999:A  13 VAL  HA  :A  16 ILE  CD1 :   -0.418:        0
:  1999:A  12 ILE  O   :A  16 ILE 2HG1 :   -0.406:        0

:  1999:A  48 GLN 1HG  :A  28 ALA 2HB  :   -0.415:        0
#sum2 ::4.50 clashscore : 4.50 clashscore B<40 
#summary::1999 atoms:1999 atoms B<40:224370 potential dots:14020.0 A^2:9 bumps:9 bumps B<40:665.8 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 11, 02:51:08 2013

[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]


The following checks were made on :
-----------------------------------------

CLOSE CONTACTS

==> Distances smaller than 2.2 Angstroms are considered as close contacts
    for heavy atoms, 1.6 Angstroms for hydrogens.

   Chain Atom    Res  Seq   Chain Atom    Res  Seq   Mol_ID            Distance
   -------------------------------------------------------------------------
       A  H      ALA   27 -     A 1HD2    ASN   45       17            Dist = 1.57


DISTANCES AND ANGLES 

We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:

==> Bond and angle checks are performed by first computing the average rms
    error for all bonds and angles relative to standard values for nucleotide
    units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
    Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
    Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
    1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
    Bond and Angle Parameters for X-ray protein structure refinement, Acta
    Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
    dictionary values by more than six times this computed rms error is 
    identified as an outlier.



    *** Covalent Bond Lengths:


The RMS deviation for covalent bonds relative to the standard 
dictionary is   0.010 Angstroms

All covalent bonds lie within a 6.0*RMSD range about the 
standard dictionary values.

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    0.6 degrees.

The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2  -  AT3    Bond    Dictionary
             Name     ID     Number                                 Angle      Value
--------------------------------------------------------------------------------
     3.4    TYR       A       57         2   N    -  CA   -  C      114.6     111.2
     4.7    TYR       A       57        12   N    -  CA   -  C      115.9     111.2


TORSION ANGLES
 
The torsion angle distributions have been checked.  The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.


CHIRALITY

The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. W�thrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized.  Any other stereochemical violations are listed below.


E/Z NOMENCLATURE

E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142]. 

Model  Chain  Residue  Residue  Atom Name  Original
               Name    Number              Atom Name
-----  -----  -------  -------  --------   ---------
  1    A       GLN        4      1HE2
  1    A       GLN        4      2HE2
  1    A       ASN        6      1HD2
  1    A       ASN        6      2HD2
  1    A       ASN       14      1HD2
  1    A       ASN       14      2HD2
  1    A       ASN       15      1HD2
  1    A       ASN       15      2HD2
  1    A       ASN       31      1HD2
  1    A       ASN       31      2HD2
  1    A       GLN       32      1HE2
  1    A       GLN       32      2HE2
  1    A       ASN       33      1HD2
  1    A       ASN       33      2HD2
  1    A       GLN       36      1HE2
  1    A       GLN       36      2HE2
  1    A       GLN       41      1HE2
  1    A       GLN       41      2HE2
  1    A       ASN       45      1HD2
  1    A       ASN       45      2HD2
  1    A       GLN       48      1HE2
  1    A       GLN       48      2HE2
  1    A       GLN       53      1HE2
  1    A       GLN       53      2HE2
  1    A       GLN       54      1HE2
  1    A       GLN       54      2HE2
  1    A       GLN       58      1HE2
  1    A       GLN       58      2HE2
  1    A       ASN       59      1HD2
  1    A       ASN       59      2HD2
  1    A       ASN       67      1HD2
  1    A       ASN       67      2HD2
  1    A       ASN       79      1HD2
  1    A       ASN       79      2HD2
  1    A       ASN       81      1HD2
  1    A       ASN       81      2HD2
  1    A       ASN       95      1HD2
  1    A       ASN       95      2HD2
  1    A       ASN       96      1HD2
  1    A       ASN       96      2HD2
  1    A       GLN       97      1HE2
  1    A       GLN       97      2HE2
  1    A       ASN      111      1HD2
  1    A       ASN      111      2HD2
  2    A       GLN        4      1HE2
  2    A       GLN        4      2HE2
  2    A       ASN        6      1HD2
  2    A       ASN        6      2HD2
  2    A       ASN       14      1HD2
  2    A       ASN       14      2HD2
  2    A       ASN       15      1HD2
  2    A       ASN       15      2HD2
  2    A       ASN       31      1HD2
  2    A       ASN       31      2HD2
  2    A       GLN       32      1HE2
  2    A       GLN       32      2HE2
  2    A       ASN       33      1HD2
  2    A       ASN       33      2HD2
  2    A       GLN       36      1HE2
  2    A       GLN       36      2HE2
  2    A       GLN       41      1HE2
  2    A       GLN       41      2HE2
  2    A       ASN       45      1HD2
  2    A       ASN       45      2HD2
  2    A       GLN       48      1HE2
  2    A       GLN       48      2HE2
  2    A       GLN       53      1HE2
  2    A       GLN       53      2HE2
  2    A       GLN       54      1HE2
  2    A       GLN       54      2HE2
  2    A       GLN       58      1HE2
  2    A       GLN       58      2HE2
  2    A       ASN       59      1HD2
  2    A       ASN       59      2HD2
  2    A       ASN       67      1HD2
  2    A       ASN       67      2HD2
  2    A       ASN       79      1HD2
  2    A       ASN       79      2HD2
  2    A       ASN       81      1HD2
  2    A       ASN       81      2HD2
  2    A       ASN       95      1HD2
  2    A       ASN       95      2HD2
  2    A       ASN       96      1HD2
  2    A       ASN       96      2HD2
  2    A       GLN       97      1HE2
  2    A       GLN       97      2HE2
  2    A       ASN      111      1HD2
  2    A       ASN      111      2HD2
  3    A       GLN        4      1HE2
  3    A       GLN        4      2HE2
  3    A       ASN        6      1HD2
  3    A       ASN        6      2HD2
  3    A       ASN       14      1HD2
  3    A       ASN       14      2HD2
  3    A       ASN       15      1HD2
  3    A       ASN       15      2HD2
  3    A       ASN       31      1HD2
  3    A       ASN       31      2HD2
  3    A       GLN       32      1HE2
  3    A       GLN       32      2HE2
  3    A       ASN       33      1HD2
  3    A       ASN       33      2HD2
  3    A       GLN       36      1HE2
  3    A       GLN       36      2HE2
  3    A       GLN       41      1HE2
  3    A       GLN       41      2HE2
  3    A       ASN       45      1HD2
  3    A       ASN       45      2HD2
  3    A       GLN       48      1HE2
  3    A       GLN       48      2HE2
  3    A       GLN       53      1HE2
  3    A       GLN       53      2HE2
  3    A       GLN       54      1HE2
  3    A       GLN       54      2HE2
  3    A       GLN       58      1HE2
  3    A       GLN       58      2HE2
  3    A       ASN       59      1HD2
  3    A       ASN       59      2HD2
  3    A       ASN       67      1HD2
  3    A       ASN       67      2HD2
  3    A       ASN       79      1HD2
  3    A       ASN       79      2HD2
  3    A       ASN       81      1HD2
  3    A       ASN       81      2HD2
  3    A       ASN       95      1HD2
  3    A       ASN       95      2HD2
  3    A       ASN       96      1HD2
  3    A       ASN       96      2HD2
  3    A       GLN       97      1HE2
  3    A       GLN       97      2HE2
  3    A       ASN      111      1HD2
  3    A       ASN      111      2HD2
  4    A       GLN        4      1HE2
  4    A       GLN        4      2HE2
  4    A       ASN        6      1HD2
  4    A       ASN        6      2HD2
  4    A       ASN       14      1HD2
  4    A       ASN       14      2HD2
  4    A       ASN       15      1HD2
  4    A       ASN       15      2HD2
  4    A       ASN       31      1HD2
  4    A       ASN       31      2HD2
  4    A       GLN       32      1HE2
  4    A       GLN       32      2HE2
  4    A       ASN       33      1HD2
  4    A       ASN       33      2HD2
  4    A       GLN       36      1HE2
  4    A       GLN       36      2HE2
  4    A       GLN       41      1HE2
  4    A       GLN       41      2HE2
  4    A       ASN       45      1HD2
  4    A       ASN       45      2HD2
  4    A       GLN       48      1HE2
  4    A       GLN       48      2HE2
  4    A       GLN       53      1HE2
  4    A       GLN       53      2HE2
  4    A       GLN       54      1HE2
  4    A       GLN       54      2HE2
  4    A       GLN       58      1HE2
  4    A       GLN       58      2HE2
  4    A       ASN       59      1HD2
  4    A       ASN       59      2HD2
  4    A       ASN       67      1HD2
  4    A       ASN       67      2HD2
  4    A       ASN       79      1HD2
  4    A       ASN       79      2HD2
  4    A       ASN       81      1HD2
  4    A       ASN       81      2HD2
  4    A       ASN       95      1HD2
  4    A       ASN       95      2HD2
  4    A       ASN       96      1HD2
  4    A       ASN       96      2HD2
  4    A       GLN       97      1HE2
  4    A       GLN       97      2HE2
  4    A       ASN      111      1HD2
  4    A       ASN      111      2HD2
  5    A       GLN        4      1HE2
  5    A       GLN        4      2HE2
  5    A       ASN        6      1HD2
  5    A       ASN        6      2HD2
  5    A       ASN       14      1HD2
  5    A       ASN       14      2HD2
  5    A       ASN       15      1HD2
  5    A       ASN       15      2HD2
  5    A       ASN       31      1HD2
  5    A       ASN       31      2HD2
  5    A       GLN       32      1HE2
  5    A       GLN       32      2HE2
  5    A       ASN       33      1HD2
  5    A       ASN       33      2HD2
  5    A       GLN       36      1HE2
  5    A       GLN       36      2HE2
  5    A       GLN       41      1HE2
  5    A       GLN       41      2HE2
  5    A       ASN       45      1HD2
  5    A       ASN       45      2HD2
  5    A       GLN       48      1HE2
  5    A       GLN       48      2HE2
  5    A       GLN       53      1HE2
  5    A       GLN       53      2HE2
  5    A       GLN       54      1HE2
  5    A       GLN       54      2HE2
  5    A       GLN       58      1HE2
  5    A       GLN       58      2HE2
  5    A       ASN       59      1HD2
  5    A       ASN       59      2HD2
  5    A       ASN       67      1HD2
  5    A       ASN       67      2HD2
  5    A       ASN       79      1HD2
  5    A       ASN       79      2HD2
  5    A       ASN       81      1HD2
  5    A       ASN       81      2HD2
  5    A       ASN       95      1HD2
  5    A       ASN       95      2HD2
  5    A       ASN       96      1HD2
  5    A       ASN       96      2HD2
  5    A       GLN       97      1HE2
  5    A       GLN       97      2HE2
  5    A       ASN      111      1HD2
  5    A       ASN      111      2HD2
  6    A       GLN        4      1HE2
  6    A       GLN        4      2HE2
  6    A       ASN        6      1HD2
  6    A       ASN        6      2HD2
  6    A       ASN       14      1HD2
  6    A       ASN       14      2HD2
  6    A       ASN       15      1HD2
  6    A       ASN       15      2HD2
  6    A       ASN       31      1HD2
  6    A       ASN       31      2HD2
  6    A       GLN       32      1HE2
  6    A       GLN       32      2HE2
  6    A       ASN       33      1HD2
  6    A       ASN       33      2HD2
  6    A       GLN       36      1HE2
  6    A       GLN       36      2HE2
  6    A       GLN       41      1HE2
  6    A       GLN       41      2HE2
  6    A       ASN       45      1HD2
  6    A       ASN       45      2HD2
  6    A       GLN       48      1HE2
  6    A       GLN       48      2HE2
  6    A       GLN       53      1HE2
  6    A       GLN       53      2HE2
  6    A       GLN       54      1HE2
  6    A       GLN       54      2HE2
  6    A       GLN       58      1HE2
  6    A       GLN       58      2HE2
  6    A       ASN       59      1HD2
  6    A       ASN       59      2HD2
  6    A       ASN       67      1HD2
  6    A       ASN       67      2HD2
  6    A       ASN       79      1HD2
  6    A       ASN       79      2HD2
  6    A       ASN       81      1HD2
  6    A       ASN       81      2HD2
  6    A       ASN       95      1HD2
  6    A       ASN       95      2HD2
  6    A       ASN       96      1HD2
  6    A       ASN       96      2HD2
  6    A       GLN       97      1HE2
  6    A       GLN       97      2HE2
  6    A       ASN      111      1HD2
  6    A       ASN      111      2HD2
  7    A       GLN        4      1HE2
  7    A       GLN        4      2HE2
  7    A       ASN        6      1HD2
  7    A       ASN        6      2HD2
  7    A       ASN       14      1HD2
  7    A       ASN       14      2HD2
  7    A       ASN       15      1HD2
  7    A       ASN       15      2HD2
  7    A       ASN       31      1HD2
  7    A       ASN       31      2HD2
  7    A       GLN       32      1HE2
  7    A       GLN       32      2HE2
  7    A       ASN       33      1HD2
  7    A       ASN       33      2HD2
  7    A       GLN       36      1HE2
  7    A       GLN       36      2HE2
  7    A       GLN       41      1HE2
  7    A       GLN       41      2HE2
  7    A       ASN       45      1HD2
  7    A       ASN       45      2HD2
  7    A       GLN       48      1HE2
  7    A       GLN       48      2HE2
  7    A       GLN       53      1HE2
  7    A       GLN       53      2HE2
  7    A       GLN       54      1HE2
  7    A       GLN       54      2HE2
  7    A       GLN       58      1HE2
  7    A       GLN       58      2HE2
  7    A       ASN       59      1HD2
  7    A       ASN       59      2HD2
  7    A       ASN       67      1HD2
  7    A       ASN       67      2HD2
  7    A       ASN       79      1HD2
  7    A       ASN       79      2HD2
  7    A       ASN       81      1HD2
  7    A       ASN       81      2HD2
  7    A       ASN       95      1HD2
  7    A       ASN       95      2HD2
  7    A       ASN       96      1HD2
  7    A       ASN       96      2HD2
  7    A       GLN       97      1HE2
  7    A       GLN       97      2HE2
  7    A       ASN      111      1HD2
  7    A       ASN      111      2HD2
  8    A       GLN        4      1HE2
  8    A       GLN        4      2HE2
  8    A       ASN        6      1HD2
  8    A       ASN        6      2HD2
  8    A       ASN       14      1HD2
  8    A       ASN       14      2HD2
  8    A       ASN       15      1HD2
  8    A       ASN       15      2HD2
  8    A       ASN       31      1HD2
  8    A       ASN       31      2HD2
  8    A       GLN       32      1HE2
  8    A       GLN       32      2HE2
  8    A       ASN       33      1HD2
  8    A       ASN       33      2HD2
  8    A       GLN       36      1HE2
  8    A       GLN       36      2HE2
  8    A       GLN       41      1HE2
  8    A       GLN       41      2HE2
  8    A       ASN       45      1HD2
  8    A       ASN       45      2HD2
  8    A       GLN       48      1HE2
  8    A       GLN       48      2HE2
  8    A       GLN       53      1HE2
  8    A       GLN       53      2HE2
  8    A       GLN       54      1HE2
  8    A       GLN       54      2HE2
  8    A       GLN       58      1HE2
  8    A       GLN       58      2HE2
  8    A       ASN       59      1HD2
  8    A       ASN       59      2HD2
  8    A       ASN       67      1HD2
  8    A       ASN       67      2HD2
  8    A       ASN       79      1HD2
  8    A       ASN       79      2HD2
  8    A       ASN       81      1HD2
  8    A       ASN       81      2HD2
  8    A       ASN       95      1HD2
  8    A       ASN       95      2HD2
  8    A       ASN       96      1HD2
  8    A       ASN       96      2HD2
  8    A       GLN       97      1HE2
  8    A       GLN       97      2HE2
  8    A       ASN      111      1HD2
  8    A       ASN      111      2HD2
  9    A       GLN        4      1HE2
  9    A       GLN        4      2HE2
  9    A       ASN        6      1HD2
  9    A       ASN        6      2HD2
  9    A       ASN       14      1HD2
  9    A       ASN       14      2HD2
  9    A       ASN       15      1HD2
  9    A       ASN       15      2HD2
  9    A       ASN       31      1HD2
  9    A       ASN       31      2HD2
  9    A       GLN       32      1HE2
  9    A       GLN       32      2HE2
  9    A       ASN       33      1HD2
  9    A       ASN       33      2HD2
  9    A       GLN       36      1HE2
  9    A       GLN       36      2HE2
  9    A       GLN       41      1HE2
  9    A       GLN       41      2HE2
  9    A       ASN       45      1HD2
  9    A       ASN       45      2HD2
  9    A       GLN       48      1HE2
  9    A       GLN       48      2HE2
  9    A       GLN       53      1HE2
  9    A       GLN       53      2HE2
  9    A       GLN       54      1HE2
  9    A       GLN       54      2HE2
  9    A       GLN       58      1HE2
  9    A       GLN       58      2HE2
  9    A       ASN       59      1HD2
  9    A       ASN       59      2HD2
  9    A       ASN       67      1HD2
  9    A       ASN       67      2HD2
  9    A       ASN       79      1HD2
  9    A       ASN       79      2HD2
  9    A       ASN       81      1HD2
  9    A       ASN       81      2HD2
  9    A       ASN       95      1HD2
  9    A       ASN       95      2HD2
  9    A       ASN       96      1HD2
  9    A       ASN       96      2HD2
  9    A       GLN       97      1HE2
  9    A       GLN       97      2HE2
  9    A       ASN      111      1HD2
  9    A       ASN      111      2HD2
 10    A       GLN        4      1HE2
 10    A       GLN        4      2HE2
 10    A       ASN        6      1HD2
 10    A       ASN        6      2HD2
 10    A       ASN       14      1HD2
 10    A       ASN       14      2HD2
 10    A       ASN       15      1HD2
 10    A       ASN       15      2HD2
 10    A       ASN       31      1HD2
 10    A       ASN       31      2HD2
 10    A       GLN       32      1HE2
 10    A       GLN       32      2HE2
 10    A       ASN       33      1HD2
 10    A       ASN       33      2HD2
 10    A       GLN       36      1HE2
 10    A       GLN       36      2HE2
 10    A       GLN       41      1HE2
 10    A       GLN       41      2HE2
 10    A       ASN       45      1HD2
 10    A       ASN       45      2HD2
 10    A       GLN       48      1HE2
 10    A       GLN       48      2HE2
 10    A       GLN       53      1HE2
 10    A       GLN       53      2HE2
 10    A       GLN       54      1HE2
 10    A       GLN       54      2HE2
 10    A       GLN       58      1HE2
 10    A       GLN       58      2HE2
 10    A       ASN       59      1HD2
 10    A       ASN       59      2HD2
 10    A       ASN       67      1HD2
 10    A       ASN       67      2HD2
 10    A       ASN       79      1HD2
 10    A       ASN       79      2HD2
 10    A       ASN       81      1HD2
 10    A       ASN       81      2HD2
 10    A       ASN       95      1HD2
 10    A       ASN       95      2HD2
 10    A       ASN       96      1HD2
 10    A       ASN       96      2HD2
 10    A       GLN       97      1HE2
 10    A       GLN       97      2HE2
 10    A       ASN      111      1HD2
 10    A       ASN      111      2HD2
 11    A       GLN        4      1HE2
 11    A       GLN        4      2HE2
 11    A       ASN        6      1HD2
 11    A       ASN        6      2HD2
 11    A       ASN       14      1HD2
 11    A       ASN       14      2HD2
 11    A       ASN       15      1HD2
 11    A       ASN       15      2HD2
 11    A       ASN       31      1HD2
 11    A       ASN       31      2HD2
 11    A       GLN       32      1HE2
 11    A       GLN       32      2HE2
 11    A       ASN       33      1HD2
 11    A       ASN       33      2HD2
 11    A       GLN       36      1HE2
 11    A       GLN       36      2HE2
 11    A       GLN       41      1HE2
 11    A       GLN       41      2HE2
 11    A       ASN       45      1HD2
 11    A       ASN       45      2HD2
 11    A       GLN       48      1HE2
 11    A       GLN       48      2HE2
 11    A       GLN       53      1HE2
 11    A       GLN       53      2HE2
 11    A       GLN       54      1HE2
 11    A       GLN       54      2HE2
 11    A       GLN       58      1HE2
 11    A       GLN       58      2HE2
 11    A       ASN       59      1HD2
 11    A       ASN       59      2HD2
 11    A       ASN       67      1HD2
 11    A       ASN       67      2HD2
 11    A       ASN       79      1HD2
 11    A       ASN       79      2HD2
 11    A       ASN       81      1HD2
 11    A       ASN       81      2HD2
 11    A       ASN       95      1HD2
 11    A       ASN       95      2HD2
 11    A       ASN       96      1HD2
 11    A       ASN       96      2HD2
 11    A       GLN       97      1HE2
 11    A       GLN       97      2HE2
 11    A       ASN      111      1HD2
 11    A       ASN      111      2HD2
 12    A       GLN        4      1HE2
 12    A       GLN        4      2HE2
 12    A       ASN        6      1HD2
 12    A       ASN        6      2HD2
 12    A       ASN       14      1HD2
 12    A       ASN       14      2HD2
 12    A       ASN       15      1HD2
 12    A       ASN       15      2HD2
 12    A       ASN       31      1HD2
 12    A       ASN       31      2HD2
 12    A       GLN       32      1HE2
 12    A       GLN       32      2HE2
 12    A       ASN       33      1HD2
 12    A       ASN       33      2HD2
 12    A       GLN       36      1HE2
 12    A       GLN       36      2HE2
 12    A       GLN       41      1HE2
 12    A       GLN       41      2HE2
 12    A       ASN       45      1HD2
 12    A       ASN       45      2HD2
 12    A       GLN       48      1HE2
 12    A       GLN       48      2HE2
 12    A       GLN       53      1HE2
 12    A       GLN       53      2HE2
 12    A       GLN       54      1HE2
 12    A       GLN       54      2HE2
 12    A       GLN       58      1HE2
 12    A       GLN       58      2HE2
 12    A       ASN       59      1HD2
 12    A       ASN       59      2HD2
 12    A       ASN       67      1HD2
 12    A       ASN       67      2HD2
 12    A       ASN       79      1HD2
 12    A       ASN       79      2HD2
 12    A       ASN       81      1HD2
 12    A       ASN       81      2HD2
 12    A       ASN       95      1HD2
 12    A       ASN       95      2HD2
 12    A       ASN       96      1HD2
 12    A       ASN       96      2HD2
 12    A       GLN       97      1HE2
 12    A       GLN       97      2HE2
 12    A       ASN      111      1HD2
 12    A       ASN      111      2HD2
 13    A       GLN        4      1HE2
 13    A       GLN        4      2HE2
 13    A       ASN        6      1HD2
 13    A       ASN        6      2HD2
 13    A       ASN       14      1HD2
 13    A       ASN       14      2HD2
 13    A       ASN       15      1HD2
 13    A       ASN       15      2HD2
 13    A       ASN       31      1HD2
 13    A       ASN       31      2HD2
 13    A       GLN       32      1HE2
 13    A       GLN       32      2HE2
 13    A       ASN       33      1HD2
 13    A       ASN       33      2HD2
 13    A       GLN       36      1HE2
 13    A       GLN       36      2HE2
 13    A       GLN       41      1HE2
 13    A       GLN       41      2HE2
 13    A       ASN       45      1HD2
 13    A       ASN       45      2HD2
 13    A       GLN       48      1HE2
 13    A       GLN       48      2HE2
 13    A       GLN       53      1HE2
 13    A       GLN       53      2HE2
 13    A       GLN       54      1HE2
 13    A       GLN       54      2HE2
 13    A       GLN       58      1HE2
 13    A       GLN       58      2HE2
 13    A       ASN       59      1HD2
 13    A       ASN       59      2HD2
 13    A       ASN       67      1HD2
 13    A       ASN       67      2HD2
 13    A       ASN       79      1HD2
 13    A       ASN       79      2HD2
 13    A       ASN       81      1HD2
 13    A       ASN       81      2HD2
 13    A       ASN       95      1HD2
 13    A       ASN       95      2HD2
 13    A       ASN       96      1HD2
 13    A       ASN       96      2HD2
 13    A       GLN       97      1HE2
 13    A       GLN       97      2HE2
 13    A       ASN      111      1HD2
 13    A       ASN      111      2HD2
 14    A       GLN        4      1HE2
 14    A       GLN        4      2HE2
 14    A       ASN        6      1HD2
 14    A       ASN        6      2HD2
 14    A       ASN       14      1HD2
 14    A       ASN       14      2HD2
 14    A       ASN       15      1HD2
 14    A       ASN       15      2HD2
 14    A       ASN       31      1HD2
 14    A       ASN       31      2HD2
 14    A       GLN       32      1HE2
 14    A       GLN       32      2HE2
 14    A       ASN       33      1HD2
 14    A       ASN       33      2HD2
 14    A       GLN       36      1HE2
 14    A       GLN       36      2HE2
 14    A       GLN       41      1HE2
 14    A       GLN       41      2HE2
 14    A       ASN       45      1HD2
 14    A       ASN       45      2HD2
 14    A       GLN       48      1HE2
 14    A       GLN       48      2HE2
 14    A       GLN       53      1HE2
 14    A       GLN       53      2HE2
 14    A       GLN       54      1HE2
 14    A       GLN       54      2HE2
 14    A       GLN       58      1HE2
 14    A       GLN       58      2HE2
 14    A       ASN       59      1HD2
 14    A       ASN       59      2HD2
 14    A       ASN       67      1HD2
 14    A       ASN       67      2HD2
 14    A       ASN       79      1HD2
 14    A       ASN       79      2HD2
 14    A       ASN       81      1HD2
 14    A       ASN       81      2HD2
 14    A       ASN       95      1HD2
 14    A       ASN       95      2HD2
 14    A       ASN       96      1HD2
 14    A       ASN       96      2HD2
 14    A       GLN       97      1HE2
 14    A       GLN       97      2HE2
 14    A       ASN      111      1HD2
 14    A       ASN      111      2HD2
 15    A       GLN        4      1HE2
 15    A       GLN        4      2HE2
 15    A       ASN        6      1HD2
 15    A       ASN        6      2HD2
 15    A       ASN       14      1HD2
 15    A       ASN       14      2HD2
 15    A       ASN       15      1HD2
 15    A       ASN       15      2HD2
 15    A       ASN       31      1HD2
 15    A       ASN       31      2HD2
 15    A       GLN       32      1HE2
 15    A       GLN       32      2HE2
 15    A       ASN       33      1HD2
 15    A       ASN       33      2HD2
 15    A       GLN       36      1HE2
 15    A       GLN       36      2HE2
 15    A       GLN       41      1HE2
 15    A       GLN       41      2HE2
 15    A       ASN       45      1HD2
 15    A       ASN       45      2HD2
 15    A       GLN       48      1HE2
 15    A       GLN       48      2HE2
 15    A       GLN       53      1HE2
 15    A       GLN       53      2HE2
 15    A       GLN       54      1HE2
 15    A       GLN       54      2HE2
 15    A       GLN       58      1HE2
 15    A       GLN       58      2HE2
 15    A       ASN       59      1HD2
 15    A       ASN       59      2HD2
 15    A       ASN       67      1HD2
 15    A       ASN       67      2HD2
 15    A       ASN       79      1HD2
 15    A       ASN       79      2HD2
 15    A       ASN       81      1HD2
 15    A       ASN       81      2HD2
 15    A       ASN       95      1HD2
 15    A       ASN       95      2HD2
 15    A       ASN       96      1HD2
 15    A       ASN       96      2HD2
 15    A       GLN       97      1HE2
 15    A       GLN       97      2HE2
 15    A       ASN      111      1HD2
 15    A       ASN      111      2HD2
 16    A       GLN        4      1HE2
 16    A       GLN        4      2HE2
 16    A       ASN        6      1HD2
 16    A       ASN        6      2HD2
 16    A       ASN       14      1HD2
 16    A       ASN       14      2HD2
 16    A       ASN       15      1HD2
 16    A       ASN       15      2HD2
 16    A       ASN       31      1HD2
 16    A       ASN       31      2HD2
 16    A       GLN       32      1HE2
 16    A       GLN       32      2HE2
 16    A       ASN       33      1HD2
 16    A       ASN       33      2HD2
 16    A       GLN       36      1HE2
 16    A       GLN       36      2HE2
 16    A       GLN       41      1HE2
 16    A       GLN       41      2HE2
 16    A       ASN       45      1HD2
 16    A       ASN       45      2HD2
 16    A       GLN       48      1HE2
 16    A       GLN       48      2HE2
 16    A       GLN       53      1HE2
 16    A       GLN       53      2HE2
 16    A       GLN       54      1HE2
 16    A       GLN       54      2HE2
 16    A       GLN       58      1HE2
 16    A       GLN       58      2HE2
 16    A       ASN       59      1HD2
 16    A       ASN       59      2HD2
 16    A       ASN       67      1HD2
 16    A       ASN       67      2HD2
 16    A       ASN       79      1HD2
 16    A       ASN       79      2HD2
 16    A       ASN       81      1HD2
 16    A       ASN       81      2HD2
 16    A       ASN       95      1HD2
 16    A       ASN       95      2HD2
 16    A       ASN       96      1HD2
 16    A       ASN       96      2HD2
 16    A       GLN       97      1HE2
 16    A       GLN       97      2HE2
 16    A       ASN      111      1HD2
 16    A       ASN      111      2HD2
 17    A       GLN        4      1HE2
 17    A       GLN        4      2HE2
 17    A       ASN        6      1HD2
 17    A       ASN        6      2HD2
 17    A       ASN       14      1HD2
 17    A       ASN       14      2HD2
 17    A       ASN       15      1HD2
 17    A       ASN       15      2HD2
 17    A       ASN       31      1HD2
 17    A       ASN       31      2HD2
 17    A       GLN       32      1HE2
 17    A       GLN       32      2HE2
 17    A       ASN       33      1HD2
 17    A       ASN       33      2HD2
 17    A       GLN       36      1HE2
 17    A       GLN       36      2HE2
 17    A       GLN       41      1HE2
 17    A       GLN       41      2HE2
 17    A       ASN       45      1HD2
 17    A       ASN       45      2HD2
 17    A       GLN       48      1HE2
 17    A       GLN       48      2HE2
 17    A       GLN       53      1HE2
 17    A       GLN       53      2HE2
 17    A       GLN       54      1HE2
 17    A       GLN       54      2HE2
 17    A       GLN       58      1HE2
 17    A       GLN       58      2HE2
 17    A       ASN       59      1HD2
 17    A       ASN       59      2HD2
 17    A       ASN       67      1HD2
 17    A       ASN       67      2HD2
 17    A       ASN       79      1HD2
 17    A       ASN       79      2HD2
 17    A       ASN       81      1HD2
 17    A       ASN       81      2HD2
 17    A       ASN       95      1HD2
 17    A       ASN       95      2HD2
 17    A       ASN       96      1HD2
 17    A       ASN       96      2HD2
 17    A       GLN       97      1HE2
 17    A       GLN       97      2HE2
 17    A       ASN      111      1HD2
 17    A       ASN      111      2HD2
 18    A       GLN        4      1HE2
 18    A       GLN        4      2HE2
 18    A       ASN        6      1HD2
 18    A       ASN        6      2HD2
 18    A       ASN       14      1HD2
 18    A       ASN       14      2HD2
 18    A       ASN       15      1HD2
 18    A       ASN       15      2HD2
 18    A       ASN       31      1HD2
 18    A       ASN       31      2HD2
 18    A       GLN       32      1HE2
 18    A       GLN       32      2HE2
 18    A       ASN       33      1HD2
 18    A       ASN       33      2HD2
 18    A       GLN       36      1HE2
 18    A       GLN       36      2HE2
 18    A       GLN       41      1HE2
 18    A       GLN       41      2HE2
 18    A       ASN       45      1HD2
 18    A       ASN       45      2HD2
 18    A       GLN       48      1HE2
 18    A       GLN       48      2HE2
 18    A       GLN       53      1HE2
 18    A       GLN       53      2HE2
 18    A       GLN       54      1HE2
 18    A       GLN       54      2HE2
 18    A       GLN       58      1HE2
 18    A       GLN       58      2HE2
 18    A       ASN       59      1HD2
 18    A       ASN       59      2HD2
 18    A       ASN       67      1HD2
 18    A       ASN       67      2HD2
 18    A       ASN       79      1HD2
 18    A       ASN       79      2HD2
 18    A       ASN       81      1HD2
 18    A       ASN       81      2HD2
 18    A       ASN       95      1HD2
 18    A       ASN       95      2HD2
 18    A       ASN       96      1HD2
 18    A       ASN       96      2HD2
 18    A       GLN       97      1HE2
 18    A       GLN       97      2HE2
 18    A       ASN      111      1HD2
 18    A       ASN      111      2HD2
 19    A       GLN        4      1HE2
 19    A       GLN        4      2HE2
 19    A       ASN        6      1HD2
 19    A       ASN        6      2HD2
 19    A       ASN       14      1HD2
 19    A       ASN       14      2HD2
 19    A       ASN       15      1HD2
 19    A       ASN       15      2HD2
 19    A       ASN       31      1HD2
 19    A       ASN       31      2HD2
 19    A       GLN       32      1HE2
 19    A       GLN       32      2HE2
 19    A       ASN       33      1HD2
 19    A       ASN       33      2HD2
 19    A       GLN       36      1HE2
 19    A       GLN       36      2HE2
 19    A       GLN       41      1HE2
 19    A       GLN       41      2HE2
 19    A       ASN       45      1HD2
 19    A       ASN       45      2HD2
 19    A       GLN       48      1HE2
 19    A       GLN       48      2HE2
 19    A       GLN       53      1HE2
 19    A       GLN       53      2HE2
 19    A       GLN       54      1HE2
 19    A       GLN       54      2HE2
 19    A       GLN       58      1HE2
 19    A       GLN       58      2HE2
 19    A       ASN       59      1HD2
 19    A       ASN       59      2HD2
 19    A       ASN       67      1HD2
 19    A       ASN       67      2HD2
 19    A       ASN       79      1HD2
 19    A       ASN       79      2HD2
 19    A       ASN       81      1HD2
 19    A       ASN       81      2HD2
 19    A       ASN       95      1HD2
 19    A       ASN       95      2HD2
 19    A       ASN       96      1HD2
 19    A       ASN       96      2HD2
 19    A       GLN       97      1HE2
 19    A       GLN       97      2HE2
 19    A       ASN      111      1HD2
 19    A       ASN      111      2HD2
 20    A       GLN        4      1HE2
 20    A       GLN        4      2HE2
 20    A       ASN        6      1HD2
 20    A       ASN        6      2HD2
 20    A       ASN       14      1HD2
 20    A       ASN       14      2HD2
 20    A       ASN       15      1HD2
 20    A       ASN       15      2HD2
 20    A       ASN       31      1HD2
 20    A       ASN       31      2HD2
 20    A       GLN       32      1HE2
 20    A       GLN       32      2HE2
 20    A       ASN       33      1HD2
 20    A       ASN       33      2HD2
 20    A       GLN       36      1HE2
 20    A       GLN       36      2HE2
 20    A       GLN       41      1HE2
 20    A       GLN       41      2HE2
 20    A       ASN       45      1HD2
 20    A       ASN       45      2HD2
 20    A       GLN       48      1HE2
 20    A       GLN       48      2HE2
 20    A       GLN       53      1HE2
 20    A       GLN       53      2HE2
 20    A       GLN       54      1HE2
 20    A       GLN       54      2HE2
 20    A       GLN       58      1HE2
 20    A       GLN       58      2HE2
 20    A       ASN       59      1HD2
 20    A       ASN       59      2HD2
 20    A       ASN       67      1HD2
 20    A       ASN       67      2HD2
 20    A       ASN       79      1HD2
 20    A       ASN       79      2HD2
 20    A       ASN       81      1HD2
 20    A       ASN       81      2HD2
 20    A       ASN       95      1HD2
 20    A       ASN       95      2HD2
 20    A       ASN       96      1HD2
 20    A       ASN       96      2HD2
 20    A       GLN       97      1HE2
 20    A       GLN       97      2HE2
 20    A       ASN      111      1HD2
 20    A       ASN      111      2HD2

OTHER IMPORTANT ISSUES



==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     GLU(  1 A   7)         HE2 
     ASP(  1 A   8)         HD2 
     ASP(  1 A  20)         HD2 
     ASP(  1 A  23)         HD2 
     ASP(  1 A  35)         HD2 
     GLU(  1 A  51)         HE2 
     HIS(  1 A  55)         HD1 
     GLU(  1 A  60)         HE2 
     ASP(  1 A  62)         HD2 
     ASP(  1 A  72)         HD2 
     ASP(  1 A  74)         HD2 
     ASP(  1 A  92)         HD2 
     GLU(  1 A 104)         HE2 
     GLU(  1 A 115)         HE2 
     HIS(  1 A 116)         HE2 
     HIS(  1 A 117)         HE2 
     HIS(  1 A 118)         HD1 
     HIS(  1 A 119)         HE2 
     HIS(  1 A 120)         HD1 
     HIS(  1 A 121)         HE2 
     GLU(  2 A   7)         HE2 
     ASP(  2 A   8)         HD2 
     ASP(  2 A  20)         HD2 
     ASP(  2 A  23)         HD2 
     ASP(  2 A  35)         HD2 
     GLU(  2 A  51)         HE2 
     HIS(  2 A  55)         HD1 
     GLU(  2 A  60)         HE2 
     ASP(  2 A  62)         HD2 
     ASP(  2 A  72)         HD2 
     ASP(  2 A  74)         HD2 
     ASP(  2 A  92)         HD2 
     GLU(  2 A 104)         HE2 
     GLU(  2 A 115)         HE2 
     HIS(  2 A 116)         HE2 
     HIS(  2 A 117)         HD1 
     HIS(  2 A 118)         HE2 
     HIS(  2 A 119)         HD1 
     HIS(  2 A 120)         HD1 
     HIS(  2 A 121)         HD1 
     GLU(  3 A   7)         HE2 
     ASP(  3 A   8)         HD2 
     ASP(  3 A  20)         HD2 
     ASP(  3 A  23)         HD2 
     ASP(  3 A  35)         HD2 
     GLU(  3 A  51)         HE2 
     HIS(  3 A  55)         HD1 
     GLU(  3 A  60)         HE2 
     ASP(  3 A  62)         HD2 
     ASP(  3 A  72)         HD2 
     ASP(  3 A  74)         HD2 
     ASP(  3 A  92)         HD2 
     GLU(  3 A 104)         HE2 
     GLU(  3 A 115)         HE2 
     HIS(  3 A 116)         HE2 
     HIS(  3 A 117)         HD1 
     HIS(  3 A 118)         HD1 
     HIS(  3 A 119)         HD1 
     HIS(  3 A 120)         HD1 
     HIS(  3 A 121)         HD1 
     GLU(  4 A   7)         HE2 
     ASP(  4 A   8)         HD2 
     ASP(  4 A  20)         HD2 
     ASP(  4 A  23)         HD2 
     ASP(  4 A  35)         HD2 
     GLU(  4 A  51)         HE2 
     HIS(  4 A  55)         HD1 
     GLU(  4 A  60)         HE2 
     ASP(  4 A  62)         HD2 
     ASP(  4 A  72)         HD2 
     ASP(  4 A  74)         HD2 
     ASP(  4 A  92)         HD2 
     GLU(  4 A 104)         HE2 
     GLU(  4 A 115)         HE2 
     HIS(  4 A 116)         HE2 
     HIS(  4 A 117)         HE2 
     HIS(  4 A 118)         HE2 
     HIS(  4 A 119)         HD1 
     HIS(  4 A 120)         HE2 
     HIS(  4 A 121)         HE2 
     GLU(  5 A   7)         HE2 
     ASP(  5 A   8)         HD2 
     ASP(  5 A  20)         HD2 
     ASP(  5 A  23)         HD2 
     ASP(  5 A  35)         HD2 
     GLU(  5 A  51)         HE2 
     HIS(  5 A  55)         HD1 
     GLU(  5 A  60)         HE2 
     ASP(  5 A  62)         HD2 
     ASP(  5 A  72)         HD2 
     ASP(  5 A  74)         HD2 
     ASP(  5 A  92)         HD2 
     GLU(  5 A 104)         HE2 
     GLU(  5 A 115)         HE2 
     HIS(  5 A 116)         HE2 
     HIS(  5 A 117)         HD1 
     HIS(  5 A 118)         HE2 
     HIS(  5 A 119)         HE2 
     HIS(  5 A 120)         HD1 
     HIS(  5 A 121)         HD1 
     GLU(  6 A   7)         HE2 
     ASP(  6 A   8)         HD2 
     ASP(  6 A  20)         HD2 
     ASP(  6 A  23)         HD2 
     ASP(  6 A  35)         HD2 
     GLU(  6 A  51)         HE2 
     HIS(  6 A  55)         HD1 
     GLU(  6 A  60)         HE2 
     ASP(  6 A  62)         HD2 
     ASP(  6 A  72)         HD2 
     ASP(  6 A  74)         HD2 
     ASP(  6 A  92)         HD2 
     GLU(  6 A 104)         HE2 
     GLU(  6 A 115)         HE2 
     HIS(  6 A 116)         HE2 
     HIS(  6 A 117)         HE2 
     HIS(  6 A 118)         HE2 
     HIS(  6 A 119)         HE2 
     HIS(  6 A 120)         HD1 
     HIS(  6 A 121)         HD1 
     GLU(  7 A   7)         HE2 
     ASP(  7 A   8)         HD2 
     ASP(  7 A  20)         HD2 
     ASP(  7 A  23)         HD2 
     ASP(  7 A  35)         HD2 
     GLU(  7 A  51)         HE2 
     HIS(  7 A  55)         HD1 
     GLU(  7 A  60)         HE2 
     ASP(  7 A  62)         HD2 
     ASP(  7 A  72)         HD2 
     ASP(  7 A  74)         HD2 
     ASP(  7 A  92)         HD2 
     GLU(  7 A 104)         HE2 
     GLU(  7 A 115)         HE2 
     HIS(  7 A 116)         HE2 
     HIS(  7 A 117)         HE2 
     HIS(  7 A 118)         HD1 
     HIS(  7 A 119)         HD1 
     HIS(  7 A 120)         HE2 
     HIS(  7 A 121)         HD1 
     GLU(  8 A   7)         HE2 
     ASP(  8 A   8)         HD2 
     ASP(  8 A  20)         HD2 
     ASP(  8 A  23)         HD2 
     ASP(  8 A  35)         HD2 
     GLU(  8 A  51)         HE2 
     HIS(  8 A  55)         HD1 
     GLU(  8 A  60)         HE2 
     ASP(  8 A  62)         HD2 
     ASP(  8 A  72)         HD2 
     ASP(  8 A  74)         HD2 
     ASP(  8 A  92)         HD2 
     GLU(  8 A 104)         HE2 
     GLU(  8 A 115)         HE2 
     HIS(  8 A 116)         HE2 
     HIS(  8 A 117)         HE2 
     HIS(  8 A 118)         HE2 
     HIS(  8 A 119)         HD1 
     HIS(  8 A 120)         HD1 
     HIS(  8 A 121)         HD1 
     GLU(  9 A   7)         HE2 
     ASP(  9 A   8)         HD2 
     ASP(  9 A  20)         HD2 
     ASP(  9 A  23)         HD2 
     ASP(  9 A  35)         HD2 
     GLU(  9 A  51)         HE2 
     HIS(  9 A  55)         HD1 
     GLU(  9 A  60)         HE2 
     ASP(  9 A  62)         HD2 
     ASP(  9 A  72)         HD2 
     ASP(  9 A  74)         HD2 
     ASP(  9 A  92)         HD2 
     GLU(  9 A 104)         HE2 
     GLU(  9 A 115)         HE2 
     HIS(  9 A 116)         HE2 
     HIS(  9 A 117)         HD1 
     HIS(  9 A 118)         HE2 
     HIS(  9 A 119)         HE2 
     HIS(  9 A 120)         HD1 
     HIS(  9 A 121)         HE2 
     GLU( 10 A   7)         HE2 
     ASP( 10 A   8)         HD2 
     ASP( 10 A  20)         HD2 
     ASP( 10 A  23)         HD2 
     ASP( 10 A  35)         HD2 
     GLU( 10 A  51)         HE2 
     HIS( 10 A  55)         HD1 
     GLU( 10 A  60)         HE2 
     ASP( 10 A  62)         HD2 
     ASP( 10 A  72)         HD2 
     ASP( 10 A  74)         HD2 
     ASP( 10 A  92)         HD2 
     GLU( 10 A 104)         HE2 
     GLU( 10 A 115)         HE2 
     HIS( 10 A 116)         HD1 
     HIS( 10 A 117)         HD1 
     HIS( 10 A 118)         HE2 
     HIS( 10 A 119)         HE2 
     HIS( 10 A 120)         HE2 
     HIS( 10 A 121)         HE2 
     GLU( 11 A   7)         HE2 
     ASP( 11 A   8)         HD2 
     ASP( 11 A  20)         HD2 
     ASP( 11 A  23)         HD2 
     ASP( 11 A  35)         HD2 
     GLU( 11 A  51)         HE2 
     HIS( 11 A  55)         HD1 
     GLU( 11 A  60)         HE2 
     ASP( 11 A  62)         HD2 
     ASP( 11 A  72)         HD2 
     ASP( 11 A  74)         HD2 
     ASP( 11 A  92)         HD2 
     GLU( 11 A 104)         HE2 
     GLU( 11 A 115)         HE2 
     HIS( 11 A 116)         HE2 
     HIS( 11 A 117)         HE2 
     HIS( 11 A 118)         HE2 
     HIS( 11 A 119)         HD1 
     HIS( 11 A 120)         HD1 
     HIS( 11 A 121)         HD1 
     GLU( 12 A   7)         HE2 
     ASP( 12 A   8)         HD2 
     ASP( 12 A  20)         HD2 
     ASP( 12 A  23)         HD2 
     ASP( 12 A  35)         HD2 
     GLU( 12 A  51)         HE2 
     HIS( 12 A  55)         HD1 
     GLU( 12 A  60)         HE2 
     ASP( 12 A  62)         HD2 
     ASP( 12 A  72)         HD2 
     ASP( 12 A  74)         HD2 
     ASP( 12 A  92)         HD2 
     GLU( 12 A 104)         HE2 
     GLU( 12 A 115)         HE2 
     HIS( 12 A 116)         HE2 
     HIS( 12 A 117)         HD1 
     HIS( 12 A 118)         HD1 
     HIS( 12 A 119)         HE2 
     HIS( 12 A 120)         HD1 
     HIS( 12 A 121)         HE2 
     GLU( 13 A   7)         HE2 
     ASP( 13 A   8)         HD2 
     ASP( 13 A  20)         HD2 
     ASP( 13 A  23)         HD2 
     ASP( 13 A  35)         HD2 
     GLU( 13 A  51)         HE2 
     HIS( 13 A  55)         HD1 
     GLU( 13 A  60)         HE2 
     ASP( 13 A  62)         HD2 
     ASP( 13 A  72)         HD2 
     ASP( 13 A  74)         HD2 
     ASP( 13 A  92)         HD2 
     GLU( 13 A 104)         HE2 
     GLU( 13 A 115)         HE2 
     HIS( 13 A 116)         HD1 
     HIS( 13 A 117)         HD1 
     HIS( 13 A 118)         HD1 
     HIS( 13 A 119)         HE2 
     HIS( 13 A 120)         HE2 
     HIS( 13 A 121)         HE2 
     GLU( 14 A   7)         HE2 
     ASP( 14 A   8)         HD2 
     ASP( 14 A  20)         HD2 
     ASP( 14 A  23)         HD2 
     ASP( 14 A  35)         HD2 
     GLU( 14 A  51)         HE2 
     HIS( 14 A  55)         HD1 
     GLU( 14 A  60)         HE2 
     ASP( 14 A  62)         HD2 
     ASP( 14 A  72)         HD2 
     ASP( 14 A  74)         HD2 
     ASP( 14 A  92)         HD2 
     GLU( 14 A 104)         HE2 
     GLU( 14 A 115)         HE2 
     HIS( 14 A 116)         HE2 
     HIS( 14 A 117)         HE2 
     HIS( 14 A 118)         HD1 
     HIS( 14 A 119)         HD1 
     HIS( 14 A 120)         HD1 
     HIS( 14 A 121)         HE2 
     GLU( 15 A   7)         HE2 
     ASP( 15 A   8)         HD2 
     ASP( 15 A  20)         HD2 
     ASP( 15 A  23)         HD2 
     ASP( 15 A  35)         HD2 
     GLU( 15 A  51)         HE2 
     HIS( 15 A  55)         HD1 
     GLU( 15 A  60)         HE2 
     ASP( 15 A  62)         HD2 
     ASP( 15 A  72)         HD2 
     ASP( 15 A  74)         HD2 
     ASP( 15 A  92)         HD2 
     GLU( 15 A 104)         HE2 
     GLU( 15 A 115)         HE2 
     HIS( 15 A 116)         HD1 
     HIS( 15 A 117)         HE2 
     HIS( 15 A 118)         HE2 
     HIS( 15 A 119)         HE2 
     HIS( 15 A 120)         HE2 
     HIS( 15 A 121)         HD1 
     GLU( 16 A   7)         HE2 
     ASP( 16 A   8)         HD2 
     ASP( 16 A  20)         HD2 
     ASP( 16 A  23)         HD2 
     ASP( 16 A  35)         HD2 
     GLU( 16 A  51)         HE2 
     HIS( 16 A  55)         HD1 
     GLU( 16 A  60)         HE2 
     ASP( 16 A  62)         HD2 
     ASP( 16 A  72)         HD2 
     ASP( 16 A  74)         HD2 
     ASP( 16 A  92)         HD2 
     GLU( 16 A 104)         HE2 
     GLU( 16 A 115)         HE2 
     HIS( 16 A 116)         HE2 
     HIS( 16 A 117)         HD1 
     HIS( 16 A 118)         HD1 
     HIS( 16 A 119)         HE2 
     HIS( 16 A 120)         HD1 
     HIS( 16 A 121)         HD1 
     GLU( 17 A   7)         HE2 
     ASP( 17 A   8)         HD2 
     ASP( 17 A  20)         HD2 
     ASP( 17 A  23)         HD2 
     ASP( 17 A  35)         HD2 
     GLU( 17 A  51)         HE2 
     HIS( 17 A  55)         HD1 
     GLU( 17 A  60)         HE2 
     ASP( 17 A  62)         HD2 
     ASP( 17 A  72)         HD2 
     ASP( 17 A  74)         HD2 
     ASP( 17 A  92)         HD2 
     GLU( 17 A 104)         HE2 
     GLU( 17 A 115)         HE2 
     HIS( 17 A 116)         HE2 
     HIS( 17 A 117)         HD1 
     HIS( 17 A 118)         HE2 
     HIS( 17 A 119)         HE2 
     HIS( 17 A 120)         HD1 
     HIS( 17 A 121)         HE2 
     GLU( 18 A   7)         HE2 
     ASP( 18 A   8)         HD2 
     ASP( 18 A  20)         HD2 
     ASP( 18 A  23)         HD2 
     ASP( 18 A  35)         HD2 
     GLU( 18 A  51)         HE2 
     HIS( 18 A  55)         HD1 
     GLU( 18 A  60)         HE2 
     ASP( 18 A  62)         HD2 
     ASP( 18 A  72)         HD2 
     ASP( 18 A  74)         HD2 
     ASP( 18 A  92)         HD2 
     GLU( 18 A 104)         HE2 
     GLU( 18 A 115)         HE2 
     HIS( 18 A 116)         HD1 
     HIS( 18 A 117)         HE2 
     HIS( 18 A 118)         HE2 
     HIS( 18 A 119)         HE2 
     HIS( 18 A 120)         HD1 
     HIS( 18 A 121)         HE2 
     GLU( 19 A   7)         HE2 
     ASP( 19 A   8)         HD2 
     ASP( 19 A  20)         HD2 
     ASP( 19 A  23)         HD2 
     ASP( 19 A  35)         HD2 
     GLU( 19 A  51)         HE2 
     HIS( 19 A  55)         HD1 
     GLU( 19 A  60)         HE2 
     ASP( 19 A  62)         HD2 
     ASP( 19 A  72)         HD2 
     ASP( 19 A  74)         HD2 
     ASP( 19 A  92)         HD2 
     GLU( 19 A 104)         HE2 
     GLU( 19 A 115)         HE2 
     HIS( 19 A 116)         HE2 
     HIS( 19 A 117)         HD1 
     HIS( 19 A 118)         HD1 
     HIS( 19 A 119)         HD1 
     HIS( 19 A 120)         HD1 
     HIS( 19 A 121)         HD1 
     GLU( 20 A   7)         HE2 
     ASP( 20 A   8)         HD2 
     ASP( 20 A  20)         HD2 
     ASP( 20 A  23)         HD2 
     ASP( 20 A  35)         HD2 
     GLU( 20 A  51)         HE2 
     HIS( 20 A  55)         HD1 
     GLU( 20 A  60)         HE2 
     ASP( 20 A  62)         HD2 
     ASP( 20 A  72)         HD2 
     ASP( 20 A  74)         HD2 
     ASP( 20 A  92)         HD2 
     GLU( 20 A 104)         HE2 
     GLU( 20 A 115)         HE2 
     HIS( 20 A 116)         HE2 
     HIS( 20 A 117)         HD1 
     HIS( 20 A 118)         HD1 
     HIS( 20 A 119)         HD1 
     HIS( 20 A 120)         HD1 
     HIS( 20 A 121)         HD1 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     HIS(  1 A 121)          O2 
     HIS(  2 A 121)          O2 
     HIS(  3 A 121)          O2 
     HIS(  4 A 121)          O2 
     HIS(  5 A 121)          O2 
     HIS(  6 A 121)          O2 
     HIS(  7 A 121)          O2 
     HIS(  8 A 121)          O2 
     HIS(  9 A 121)          O2 
     HIS( 10 A 121)          O2 
     HIS( 11 A 121)          O2 
     HIS( 12 A 121)          O2 
     HIS( 13 A 121)          O2 
     HIS( 14 A 121)          O2 
     HIS( 15 A 121)          O2 
     HIS( 16 A 121)          O2 
     HIS( 17 A 121)          O2 
     HIS( 18 A 121)          O2 
     HIS( 19 A 121)          O2 
     HIS( 20 A 121)          O2 


UUR17A_R3Cons_em_bcr3.pdb: Missing KEYWDS records

UUR17A_R3Cons_em_bcr3.pdb: Missing TITLE record